N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C20H29N5O4 — CID 118777814

IUPACN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cnc[nH]c1=O
InChIInChI=1S/C20H29N5O4/c26-18-12-29-16(7-22-19(27)17-8-21-13-23-20(17)28)11-25(18)10-15-3-5-24(6-4-15)9-14-1-2-14/h8,13-16H,1-7,9-12H2,(H,22,27)(H,21,23,28)
InChIKeyZTPHXSOIYKXLAV-UHFFFAOYSA-N
MW403.48 g/mol
LogP-0.15
Rot. Bonds7

About N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 118777814) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID118777814
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC NameN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cnc[nH]c1=O
InChIInChI=1S/C20H29N5O4/c26-18-12-29-16(7-22-19(27)17-8-21-13-23-20(17)28)11-25(18)10-15-3-5-24(6-4-15)9-14-1-2-14/h8,13-16H,1-7,9-12H2,(H,22,27)(H,21,23,28)
InChIKeyZTPHXSOIYKXLAV-UHFFFAOYSA-N
XLogP-0.15
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 118777814) is N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cnc[nH]c1=O.
What is the InChIKey of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZTPHXSOIYKXLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4/c26-18-12-29-16(7-22-19(27)17-8-21-13-23-20(17)28)11-25(18)10-15-3-5-24(6-4-15)9-14-1-2-14/h8,13-16H,1-7,9-12H2,(H,22,27)(H,21,23,28).
What are the key properties of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 403.48 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 118777814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).