1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C20H26N4O2S — CID 74239853

IUPAC1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(CN(Cc2ccncc2)C(=O)C2CCN(CC(N)=O)CC2)s1
InChIInChI=1S/C20H26N4O2S/c1-15-2-3-18(27-15)13-24(12-16-4-8-22-9-5-16)20(26)17-6-10-23(11-7-17)14-19(21)25/h2-5,8-9,17H,6-7,10-14H2,1H3,(H2,21,25)
InChIKeyBKFOVQRCZQRVRS-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.18
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 74239853) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID74239853
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(CN(Cc2ccncc2)C(=O)C2CCN(CC(N)=O)CC2)s1
InChIInChI=1S/C20H26N4O2S/c1-15-2-3-18(27-15)13-24(12-16-4-8-22-9-5-16)20(26)17-6-10-23(11-7-17)14-19(21)25/h2-5,8-9,17H,6-7,10-14H2,1H3,(H2,21,25)
InChIKeyBKFOVQRCZQRVRS-UHFFFAOYSA-N
XLogP2.18
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 74239853) is 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is Cc1ccc(CN(Cc2ccncc2)C(=O)C2CCN(CC(N)=O)CC2)s1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BKFOVQRCZQRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-15-2-3-18(27-15)13-24(12-16-4-8-22-9-5-16)20(26)17-6-10-23(11-7-17)14-19(21)25/h2-5,8-9,17H,6-7,10-14H2,1H3,(H2,21,25).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 74239853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).