N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride

C17H30ClN3O2 — CID 119623305

IUPACN-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(NCCCC(=O)N1CCC(NCC2CC2)CC1)C1CC1
InChIInChI=1S/C17H29N3O2.ClH/c21-16(2-1-9-18-17(22)14-5-6-14)20-10-7-15(8-11-20)19-12-13-3-4-13;/h13-15,19H,1-12H2,(H,18,22);1H
InChIKeyBJBLYWJYXZHTHX-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.71
Rot. Bonds8

About N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride

N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119623305) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119623305
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC NameN-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(NCCCC(=O)N1CCC(NCC2CC2)CC1)C1CC1
InChIInChI=1S/C17H29N3O2.ClH/c21-16(2-1-9-18-17(22)14-5-6-14)20-10-7-15(8-11-20)19-12-13-3-4-13;/h13-15,19H,1-12H2,(H,18,22);1H
InChIKeyBJBLYWJYXZHTHX-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119622312
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
N-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119636916
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(3,4-dimethylphenoxy)butan-1-one;hydrochloride
CID 119625531
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2,3-dichlorophenoxy)butan-1-one;hydrochloride
CID 119624379
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
4-(5-bromothiophen-2-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119625072
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one
CID 103209701
3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
CID 75436334
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
CID 119625023

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride (CID 119623305) is N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride is Cl.O=C(NCCCC(=O)N1CCC(NCC2CC2)CC1)C1CC1.
What is the InChIKey of N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is BJBLYWJYXZHTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c21-16(2-1-9-18-17(22)14-5-6-14)20-10-7-15(8-11-20)19-12-13-3-4-13;/h13-15,19H,1-12H2,(H,18,22);1H.
What are the key properties of N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride?
N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119623305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).