1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide

C25H34N6O4 — CID 55841787

IUPAC1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESCCN(C(=O)CN1CCCC(C(=O)NCC2CC2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H34N6O4/c1-2-30(20(32)16-29-12-6-9-19(15-29)23(33)27-13-17-10-11-17)21-22(26)31(25(35)28-24(21)34)14-18-7-4-3-5-8-18/h3-5,7-8,17,19H,2,6,9-16,26H2,1H3,(H,27,33)(H,28,34,35)
InChIKeyFAEYCDMVRBVPSU-UHFFFAOYSA-N
MW482.59 g/mol
LogP0.76
Rot. Bonds9

About 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide

1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide (PubChem CID 55841787) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
PubChem CID55841787
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC Name1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESCCN(C(=O)CN1CCCC(C(=O)NCC2CC2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H34N6O4/c1-2-30(20(32)16-29-12-6-9-19(15-29)23(33)27-13-17-10-11-17)21-22(26)31(25(35)28-24(21)34)14-18-7-4-3-5-8-18/h3-5,7-8,17,19H,2,6,9-16,26H2,1H3,(H,27,33)(H,28,34,35)
InChIKeyFAEYCDMVRBVPSU-UHFFFAOYSA-N
XLogP0.76
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

2-[4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 29166370
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2089001
2-[4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 43037838
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide
CID 8894412
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3882558
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-benzylpiperazin-1-yl)-N-ethylacetamide
CID 43012919
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-ethylacetamide
CID 56542791
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-ethylacetamide
CID 16561830
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
CID 4791103
1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-3-propylthiourea
CID 9093587
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 42996497
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8800403

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide (CID 55841787) is 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide is CCN(C(=O)CN1CCCC(C(=O)NCC2CC2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The InChIKey is FAEYCDMVRBVPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-2-30(20(32)16-29-12-6-9-19(15-29)23(33)27-13-17-10-11-17)21-22(26)31(25(35)28-24(21)34)14-18-7-4-3-5-8-18/h3-5,7-8,17,19H,2,6,9-16,26H2,1H3,(H,27,33)(H,28,34,35).
What are the key properties of 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55841787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).