(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C18H29N3O — CID 138004302

IUPAC(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cccn2C2CCCC2)CC1
InChIInChI=1S/C18H29N3O/c1-2-19-14-15-9-12-20(13-10-15)18(22)17-8-5-11-21(17)16-6-3-4-7-16/h5,8,11,15-16,19H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyVNJPNYJXPPPTMN-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.06
Rot. Bonds5

About (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 138004302) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID138004302
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cccn2C2CCCC2)CC1
InChIInChI=1S/C18H29N3O/c1-2-19-14-15-9-12-20(13-10-15)18(22)17-8-5-11-21(17)16-6-3-4-7-16/h5,8,11,15-16,19H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyVNJPNYJXPPPTMN-UHFFFAOYSA-N
XLogP3.06
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636
(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110009433
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131919994
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657589
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 138004302) is (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2cccn2C2CCCC2)CC1.
What is the InChIKey of (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is VNJPNYJXPPPTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-19-14-15-9-12-20(13-10-15)18(22)17-8-5-11-21(17)16-6-3-4-7-16/h5,8,11,15-16,19H,2-4,6-7,9-10,12-14H2,1H3.
What are the key properties of (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 303.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138004302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).