1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

C16H22BrN3O — CID 119899073

IUPAC1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C16H22BrN3O/c17-13-3-1-12(2-4-13)11-20-9-5-14(6-10-20)19-15(21)16(18)7-8-16/h1-4,14H,5-11,18H2,(H,19,21)
InChIKeyJKAQGJGISJTYHB-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.02
Rot. Bonds4

About 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 119899073) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID119899073
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C16H22BrN3O/c17-13-3-1-12(2-4-13)11-20-9-5-14(6-10-20)19-15(21)16(18)7-8-16/h1-4,14H,5-11,18H2,(H,19,21)
InChIKeyJKAQGJGISJTYHB-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119891176
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 119883492
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883491
3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 120504323
4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
CID 119899114
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(methylamino)butanamide
CID 119899083
7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
CID 119899075
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 119899073) is 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is NC1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is JKAQGJGISJTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-13-3-1-12(2-4-13)11-20-9-5-14(6-10-20)19-15(21)16(18)7-8-16/h1-4,14H,5-11,18H2,(H,19,21).
What are the key properties of 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119899073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).