[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone

C21H33N5O — CID 155950757

IUPAC[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
SMILESCN1CCCC(N2CCN(C(=O)c3cccnc3NC3CCCC3)CC2)C1
InChIInChI=1S/C21H33N5O/c1-24-11-5-8-18(16-24)25-12-14-26(15-13-25)21(27)19-9-4-10-22-20(19)23-17-6-2-3-7-17/h4,9-10,17-18H,2-3,5-8,11-16H2,1H3,(H,22,23)
InChIKeyXNAIKFPRUVPSIP-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.29
Rot. Bonds4

About [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone

[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone (PubChem CID 155950757) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
PubChem CID155950757
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
SMILESCN1CCCC(N2CCN(C(=O)c3cccnc3NC3CCCC3)CC2)C1
InChIInChI=1S/C21H33N5O/c1-24-11-5-8-18(16-24)25-12-14-26(15-13-25)21(27)19-9-4-10-22-20(19)23-17-6-2-3-7-17/h4,9-10,17-18H,2-3,5-8,11-16H2,1H3,(H,22,23)
InChIKeyXNAIKFPRUVPSIP-UHFFFAOYSA-N
XLogP2.29
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(4-cyclobutyl-1,4-diazepan-1-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
CID 131703062

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone (CID 155950757) is [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone is CN1CCCC(N2CCN(C(=O)c3cccnc3NC3CCCC3)CC2)C1.
What is the InChIKey of [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone?
The InChIKey is XNAIKFPRUVPSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-24-11-5-8-18(16-24)25-12-14-26(15-13-25)21(27)19-9-4-10-22-20(19)23-17-6-2-3-7-17/h4,9-10,17-18H,2-3,5-8,11-16H2,1H3,(H,22,23).
What are the key properties of [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone?
[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 155950757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).