(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

C18H33N3O — CID 119867647

IUPAC(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CCCCN1CC1CCCN(C(=O)C2(N)CCCC2)C1
InChIInChI=1S/C18H33N3O/c1-15-7-2-5-11-20(15)13-16-8-6-12-21(14-16)17(22)18(19)9-3-4-10-18/h15-16H,2-14,19H2,1H3
InChIKeyJDUPOUJHRXNZGF-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.37
Rot. Bonds3

About (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 119867647) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID119867647
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CCCCN1CC1CCCN(C(=O)C2(N)CCCC2)C1
InChIInChI=1S/C18H33N3O/c1-15-7-2-5-11-20(15)13-16-8-6-12-21(14-16)17(22)18(19)9-3-4-10-18/h15-16H,2-14,19H2,1H3
InChIKeyJDUPOUJHRXNZGF-UHFFFAOYSA-N
XLogP2.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867638
4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 120596115
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 125120891
[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119867686
(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807799
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 95351485
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (CID 119867647) is (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is CC1CCCCN1CC1CCCN(C(=O)C2(N)CCCC2)C1.
What is the InChIKey of (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is JDUPOUJHRXNZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-15-7-2-5-11-20(15)13-16-8-6-12-21(14-16)17(22)18(19)9-3-4-10-18/h15-16H,2-14,19H2,1H3.
What are the key properties of (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 307.48 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 119867647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).