1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide

C20H30N4O3 — CID 72923083

IUPAC1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NCC2CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C20H30N4O3/c1-27-15-19(25)23-11-7-17(8-12-23)20(26)22-13-16-5-4-10-24(14-16)18-6-2-3-9-21-18/h2-3,6,9,16-17H,4-5,7-8,10-15H2,1H3,(H,22,26)
InChIKeyKHFIEFPEIVHKKU-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.30
Rot. Bonds6

About 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide

1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 72923083) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
PubChem CID72923083
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NCC2CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C20H30N4O3/c1-27-15-19(25)23-11-7-17(8-12-23)20(26)22-13-16-5-4-10-24(14-16)18-6-2-3-9-21-18/h2-3,6,9,16-17H,4-5,7-8,10-15H2,1H3,(H,22,26)
InChIKeyKHFIEFPEIVHKKU-UHFFFAOYSA-N
XLogP1.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
CID 91779081
3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
CID 134081045
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 25280317
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 91760004
1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 90648225
(3R)-N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 95204110
6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide (CID 72923083) is 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)NCC2CCCN(c3ccccn3)C2)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KHFIEFPEIVHKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-27-15-19(25)23-11-7-17(8-12-23)20(26)22-13-16-5-4-10-24(14-16)18-6-2-3-9-21-18/h2-3,6,9,16-17H,4-5,7-8,10-15H2,1H3,(H,22,26).
What are the key properties of 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide?
1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72923083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).