N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide

C21H31N3O3 — CID 124939994

IUPACN-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide
SMILESCOCC(=O)N1CCC(CCc2ccnc(NC(=O)C3CCCC3)c2)CC1
InChIInChI=1S/C21H31N3O3/c1-27-15-20(25)24-12-9-16(10-13-24)6-7-17-8-11-22-19(14-17)23-21(26)18-4-2-3-5-18/h8,11,14,16,18H,2-7,9-10,12-13,15H2,1H3,(H,22,23,26)
InChIKeyADDNDKGTEHTUEO-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.03
Rot. Bonds7

About N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide

N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide (PubChem CID 124939994) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide
PubChem CID124939994
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide
SMILESCOCC(=O)N1CCC(CCc2ccnc(NC(=O)C3CCCC3)c2)CC1
InChIInChI=1S/C21H31N3O3/c1-27-15-20(25)24-12-9-16(10-13-24)6-7-17-8-11-22-19(14-17)23-21(26)18-4-2-3-5-18/h8,11,14,16,18H,2-7,9-10,12-13,15H2,1H3,(H,22,23,26)
InChIKeyADDNDKGTEHTUEO-UHFFFAOYSA-N
XLogP3.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124967872
N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 125009624
2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124976357
N-[4-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 124950139
1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 125000717
2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124980911
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide
CID 162630508
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
CID 66509368
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
CID 138000668
1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 60547252

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide (CID 124939994) is N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide is COCC(=O)N1CCC(CCc2ccnc(NC(=O)C3CCCC3)c2)CC1.
What is the InChIKey of N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide?
The InChIKey is ADDNDKGTEHTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-15-20(25)24-12-9-16(10-13-24)6-7-17-8-11-22-19(14-17)23-21(26)18-4-2-3-5-18/h8,11,14,16,18H,2-7,9-10,12-13,15H2,1H3,(H,22,23,26).
What are the key properties of N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide?
N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 124939994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).