2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone

C28H40N4O2 — CID 70893779

IUPAC2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)CC3CCCC3)CC2)CC1
InChIInChI=1S/C28H40N4O2/c1-34-25-10-9-24-8-4-13-29-27(24)28(25)32-15-5-14-30(18-19-32)21-23-11-16-31(17-12-23)26(33)20-22-6-2-3-7-22/h4,8-10,13,22-23H,2-3,5-7,11-12,14-21H2,1H3
InChIKeyLXLOIDQVSMDPCP-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.57
Rot. Bonds6

About 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 70893779) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID70893779
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)CC3CCCC3)CC2)CC1
InChIInChI=1S/C28H40N4O2/c1-34-25-10-9-24-8-4-13-29-27(24)28(25)32-15-5-14-30(18-19-32)21-23-11-16-31(17-12-23)26(33)20-22-6-2-3-7-22/h4,8-10,13,22-23H,2-3,5-7,11-12,14-21H2,1H3
InChIKeyLXLOIDQVSMDPCP-UHFFFAOYSA-N
XLogP4.57
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 46206314
cyclopentyl-[(3S)-3-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone
CID 70893778
4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-2-phenyl-4,5-dihydro-1,3-thiazole
CID 163878150
1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 70823321
2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 136519424
tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate
CID 70893770
N-[4-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59634857
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 172891020
cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 160517579
3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propanoic acid
CID 59366189
N-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 67505073
ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 155518790

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone (CID 70893779) is 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone is COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)CC3CCCC3)CC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is LXLOIDQVSMDPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-34-25-10-9-24-8-4-13-29-27(24)28(25)32-15-5-14-30(18-19-32)21-23-11-16-31(17-12-23)26(33)20-22-6-2-3-7-22/h4,8-10,13,22-23H,2-3,5-7,11-12,14-21H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 464.65 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70893779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).