(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride

C22H36ClN3O — CID 119622789

IUPAC(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(NCC3CC3)CC2)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C22H35N3O.ClH/c1-16-14-21(17(2)25(16)20-6-4-3-5-7-20)22(26)24-12-10-19(11-13-24)23-15-18-8-9-18;/h14,18-20,23H,3-13,15H2,1-2H3;1H
InChIKeyPVXUYZRUNQWSAV-UHFFFAOYSA-N
MW394.00 g/mol
LogP4.64
Rot. Bonds5

About (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride

(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119622789) has the molecular formula C22H36ClN3O and a molecular weight of 394.00 g/mol. Its IUPAC name is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119622789
Molecular FormulaC22H36ClN3O
Molecular Weight394.00 g/mol
Exact Mass393.25
IUPAC Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(NCC3CC3)CC2)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C22H35N3O.ClH/c1-16-14-21(17(2)25(16)20-6-4-3-5-7-20)22(26)24-12-10-19(11-13-24)23-15-18-8-9-18;/h14,18-20,23H,3-13,15H2,1-2H3;1H
InChIKeyPVXUYZRUNQWSAV-UHFFFAOYSA-N
XLogP4.64
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.00
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612763
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612764
[4-(1-aminoethyl)piperidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119518049
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124611414
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 120816019
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251307
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119623457
1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 71935809
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride (CID 119622789) is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride is Cc1cc(C(=O)N2CCC(NCC3CC3)CC2)c(C)n1C1CCCCC1.Cl.
What is the InChIKey of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is PVXUYZRUNQWSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O.ClH/c1-16-14-21(17(2)25(16)20-6-4-3-5-7-20)22(26)24-12-10-19(11-13-24)23-15-18-8-9-18;/h14,18-20,23H,3-13,15H2,1-2H3;1H.
What are the key properties of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 394.00 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119622789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).