5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide

C19H29BrN2O — CID 60508198

IUPAC5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide
SMILESCC(CN1CCCCC1)NC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C19H29BrN2O/c1-16(15-22-13-5-2-6-14-22)21-19(23)8-4-3-7-17-9-11-18(20)12-10-17/h9-12,16H,2-8,13-15H2,1H3,(H,21,23)
InChIKeyLEEZPRZNHSRRCB-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.15
Rot. Bonds8

About 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide

5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide (PubChem CID 60508198) has the molecular formula C19H29BrN2O and a molecular weight of 381.36 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide
PubChem CID60508198
Molecular FormulaC19H29BrN2O
Molecular Weight381.36 g/mol
Exact Mass380.15
IUPAC Name5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide
SMILESCC(CN1CCCCC1)NC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C19H29BrN2O/c1-16(15-22-13-5-2-6-14-22)21-19(23)8-4-3-7-17-9-11-18(20)12-10-17/h9-12,16H,2-8,13-15H2,1H3,(H,21,23)
InChIKeyLEEZPRZNHSRRCB-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
CID 110893974
5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 61473760
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307575
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55652257
3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 60508108
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
4-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 79192946
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
N-hydroxy-6-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]hexanamide
CID 142052359
5-(4-bromophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)pentanamide
CID 55758909
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide (CID 60508198) is 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide is CC(CN1CCCCC1)NC(=O)CCCCc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide?
The InChIKey is LEEZPRZNHSRRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O/c1-16(15-22-13-5-2-6-14-22)21-19(23)8-4-3-7-17-9-11-18(20)12-10-17/h9-12,16H,2-8,13-15H2,1H3,(H,21,23).
What are the key properties of 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide?
5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide has a molecular weight of 381.36 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 60508198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).