[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride

C24H29ClN2O2 — CID 119623132

IUPAC[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCC(NCC3CC3)CC2)cc1.Cl
InChIInChI=1S/C24H28N2O2.ClH/c1-17-6-10-19(11-7-17)23(27)21-4-2-3-5-22(21)24(28)26-14-12-20(13-15-26)25-16-18-8-9-18;/h2-7,10-11,18,20,25H,8-9,12-16H2,1H3;1H
InChIKeyGNTHMZCPCLTAON-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.25
Rot. Bonds6

About [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride

[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride (PubChem CID 119623132) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
PubChem CID119623132
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCC(NCC3CC3)CC2)cc1.Cl
InChIInChI=1S/C24H28N2O2.ClH/c1-17-6-10-19(11-7-17)23(27)21-4-2-3-5-22(21)24(28)26-14-12-20(13-15-26)25-16-18-8-9-18;/h2-7,10-11,18,20,25H,8-9,12-16H2,1H3;1H
InChIKeyGNTHMZCPCLTAON-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119544374
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,3-dimethylanilino)phenyl]methanone
CID 119625088
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119623914
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921

Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride?
The IUPAC name of [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride (CID 119623132) is [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride?
The canonical SMILES for [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride is Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(NCC3CC3)CC2)cc1.Cl.
What is the InChIKey of [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride?
The InChIKey is GNTHMZCPCLTAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2.ClH/c1-17-6-10-19(11-7-17)23(27)21-4-2-3-5-22(21)24(28)26-14-12-20(13-15-26)25-16-18-8-9-18;/h2-7,10-11,18,20,25H,8-9,12-16H2,1H3;1H.
What are the key properties of [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride?
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride has a molecular weight of 412.96 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119623132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).