N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride

C18H32ClN3O2 — CID 119621740

IUPACN-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
SMILESCC(=O)NC1(C(=O)N2CCC(NCC3CC3)CC2)CCCCC1.Cl
InChIInChI=1S/C18H31N3O2.ClH/c1-14(22)20-18(9-3-2-4-10-18)17(23)21-11-7-16(8-12-21)19-13-15-5-6-15;/h15-16,19H,2-13H2,1H3,(H,20,22);1H
InChIKeyXRJOSDPAVBKHNB-UHFFFAOYSA-N
MW357.93 g/mol
LogP2.24
Rot. Bonds5

About N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride

N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride (PubChem CID 119621740) has the molecular formula C18H32ClN3O2 and a molecular weight of 357.93 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
PubChem CID119621740
Molecular FormulaC18H32ClN3O2
Molecular Weight357.93 g/mol
Exact Mass357.22
IUPAC NameN-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
SMILESCC(=O)NC1(C(=O)N2CCC(NCC3CC3)CC2)CCCCC1.Cl
InChIInChI=1S/C18H31N3O2.ClH/c1-14(22)20-18(9-3-2-4-10-18)17(23)21-11-7-16(8-12-21)19-13-15-5-6-15;/h15-16,19H,2-13H2,1H3,(H,20,22);1H
InChIKeyXRJOSDPAVBKHNB-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119542778
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 119622236
N-[1-[3-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119394929
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107181008
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119622558
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide
CID 56802503

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride?
The IUPAC name of N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride (CID 119621740) is N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride is CC(=O)NC1(C(=O)N2CCC(NCC3CC3)CC2)CCCCC1.Cl.
What is the InChIKey of N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride?
The InChIKey is XRJOSDPAVBKHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2.ClH/c1-14(22)20-18(9-3-2-4-10-18)17(23)21-11-7-16(8-12-21)19-13-15-5-6-15;/h15-16,19H,2-13H2,1H3,(H,20,22);1H.
What are the key properties of N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride?
N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 119621740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).