2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide

C19H29FN4O2 — CID 120602332

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCNC(C)C1
InChIInChI=1S/C19H29FN4O2/c1-3-4-17(18(25)23-16-9-10-21-13(2)11-16)24-19(26)22-12-14-5-7-15(20)8-6-14/h5-8,13,16-17,21H,3-4,9-12H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyLNOBIEKJCYLFNQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.05
Rot. Bonds7

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide (PubChem CID 120602332) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide
PubChem CID120602332
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCNC(C)C1
InChIInChI=1S/C19H29FN4O2/c1-3-4-17(18(25)23-16-9-10-21-13(2)11-16)24-19(26)22-12-14-5-7-15(20)8-6-14/h5-8,13,16-17,21H,3-4,9-12H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyLNOBIEKJCYLFNQ-UHFFFAOYSA-N
XLogP2.05
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide
CID 46537350
N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119616288
1-[(4-fluorophenyl)methyl]-3-[1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]urea
CID 42933803
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide
CID 120601681
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24606174
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
CID 119647170

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide (CID 120602332) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCNC(C)C1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide?
The InChIKey is LNOBIEKJCYLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-3-4-17(18(25)23-16-9-10-21-13(2)11-16)24-19(26)22-12-14-5-7-15(20)8-6-14/h5-8,13,16-17,21H,3-4,9-12H2,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide has a molecular weight of 364.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 120602332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).