1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

C20H29N5O2 — CID 56878526

IUPAC1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3cc(C#N)ccn3)CC2)C1
InChIInChI=1S/C20H29N5O2/c1-27-12-8-23-20(26)17-3-2-9-25(15-17)18-5-10-24(11-6-18)19-13-16(14-21)4-7-22-19/h4,7,13,17-18H,2-3,5-6,8-12,15H2,1H3,(H,23,26)
InChIKeyPLLQKWDDGPCCHM-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.40
Rot. Bonds6

About 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 56878526) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID56878526
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3cc(C#N)ccn3)CC2)C1
InChIInChI=1S/C20H29N5O2/c1-27-12-8-23-20(26)17-3-2-9-25(15-17)18-5-10-24(11-6-18)19-13-16(14-21)4-7-22-19/h4,7,13,17-18H,2-3,5-6,8-12,15H2,1H3,(H,23,26)
InChIKeyPLLQKWDDGPCCHM-UHFFFAOYSA-N
XLogP1.40
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-methoxyethyl)-1-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95561284
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 95402787
(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553576
N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873787
(3S)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553575
2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95402453
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95549665
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188241
1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56865643
(3R)-1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95502510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 56878526) is 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(c3cc(C#N)ccn3)CC2)C1.
What is the InChIKey of 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is PLLQKWDDGPCCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-27-12-8-23-20(26)17-3-2-9-25(15-17)18-5-10-24(11-6-18)19-13-16(14-21)4-7-22-19/h4,7,13,17-18H,2-3,5-6,8-12,15H2,1H3,(H,23,26).
What are the key properties of 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56878526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).