N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide

C17H24BrN3O2 — CID 119321926

IUPACN-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)CCNC(=O)C1CCNCC1
InChIInChI=1S/C17H24BrN3O2/c1-21(12-14-4-2-3-5-15(14)18)16(22)8-11-20-17(23)13-6-9-19-10-7-13/h2-5,13,19H,6-12H2,1H3,(H,20,23)
InChIKeyKDGRXNMFTJHAKR-UHFFFAOYSA-N
MW382.30 g/mol
LogP1.91
Rot. Bonds6

About N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide

N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 119321926) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide
PubChem CID119321926
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)CCNC(=O)C1CCNCC1
InChIInChI=1S/C17H24BrN3O2/c1-21(12-14-4-2-3-5-15(14)18)16(22)8-11-20-17(23)13-6-9-19-10-7-13/h2-5,13,19H,6-12H2,1H3,(H,20,23)
InChIKeyKDGRXNMFTJHAKR-UHFFFAOYSA-N
XLogP1.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667
N-[(2-bromophenyl)methyl]-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-methylpropanamide
CID 111808102
3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
CID 120500697
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119780688
N-[(2-bromophenyl)methyl]-N-methyl-3-(thian-4-ylamino)propanamide
CID 119128773
4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide
CID 120562543
N-[2-[[[(2-bromophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111276053
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-3-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide
CID 111768171
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide (CID 119321926) is N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide is CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1CCNCC1.
What is the InChIKey of N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is KDGRXNMFTJHAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-21(12-14-4-2-3-5-15(14)18)16(22)8-11-20-17(23)13-6-9-19-10-7-13/h2-5,13,19H,6-12H2,1H3,(H,20,23).
What are the key properties of N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide?
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 119321926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).