N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide

C17H24BrN3O2 — CID 119884408

IUPACN-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCN(c3ccccc3Br)C2)CCNCC1
InChIInChI=1S/C17H24BrN3O2/c1-23-17(7-9-19-10-8-17)16(22)20-13-6-11-21(12-13)15-5-3-2-4-14(15)18/h2-5,13,19H,6-12H2,1H3,(H,20,22)
InChIKeySEZSGRQJHPGVGX-UHFFFAOYSA-N
MW382.30 g/mol
LogP1.91
Rot. Bonds4

About N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide

N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119884408) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
PubChem CID119884408
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCN(c3ccccc3Br)C2)CCNCC1
InChIInChI=1S/C17H24BrN3O2/c1-23-17(7-9-19-10-8-17)16(22)20-13-6-11-21(12-13)15-5-3-2-4-14(15)18/h2-5,13,19H,6-12H2,1H3,(H,20,22)
InChIKeySEZSGRQJHPGVGX-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119899376
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862948
4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119844595
1-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 96523423
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119785319
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119884405
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
methyl 1-(2-bromophenyl)pyrrolidine-3-carboxylate
CID 117028374
N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119884413
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119802811
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119886301

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide (CID 119884408) is N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC2CCN(c3ccccc3Br)C2)CCNCC1.
What is the InChIKey of N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is SEZSGRQJHPGVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-23-17(7-9-19-10-8-17)16(22)20-13-6-11-21(12-13)15-5-3-2-4-14(15)18/h2-5,13,19H,6-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119884408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).