(3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide

C19H25BrN4O — CID 97306926

IUPAC(3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
SMILESCc1cc(C2CCN([C@H](C)CC(=O)Nc3cccc(Br)c3)CC2)n[nH]1
InChIInChI=1S/C19H25BrN4O/c1-13-10-18(23-22-13)15-6-8-24(9-7-15)14(2)11-19(25)21-17-5-3-4-16(20)12-17/h3-5,10,12,14-15H,6-9,11H2,1-2H3,(H,21,25)(H,22,23)/t14-/m1/s1
InChIKeyKNPBSWCTLGTVJA-CQSZACIVSA-N
MW405.34 g/mol
LogP4.08
Rot. Bonds5

About (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide

(3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide (PubChem CID 97306926) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol. Its IUPAC name is (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name(3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
PubChem CID97306926
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name(3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
SMILESCc1cc(C2CCN([C@H](C)CC(=O)Nc3cccc(Br)c3)CC2)n[nH]1
InChIInChI=1S/C19H25BrN4O/c1-13-10-18(23-22-13)15-6-8-24(9-7-15)14(2)11-19(25)21-17-5-3-4-16(20)12-17/h3-5,10,12,14-15H,6-9,11H2,1-2H3,(H,21,25)(H,22,23)/t14-/m1/s1
InChIKeyKNPBSWCTLGTVJA-CQSZACIVSA-N
XLogP4.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62838058
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N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
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N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
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CID 18086174
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942837
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
(3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide?
The IUPAC name of (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide (CID 97306926) is (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide.
What is the SMILES notation for (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide?
The canonical SMILES for (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide is Cc1cc(C2CCN([C@H](C)CC(=O)Nc3cccc(Br)c3)CC2)n[nH]1.
What is the InChIKey of (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide?
The InChIKey is KNPBSWCTLGTVJA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25BrN4O/c1-13-10-18(23-22-13)15-6-8-24(9-7-15)14(2)11-19(25)21-17-5-3-4-16(20)12-17/h3-5,10,12,14-15H,6-9,11H2,1-2H3,(H,21,25)(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide?
(3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide has a molecular weight of 405.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-bromophenyl)-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide is sourced from PubChem (CID 97306926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).