1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

C18H25ClFN3O2 — CID 119768106

IUPAC1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)cc1)C1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C18H24FN3O2.ClH/c19-15-3-5-16(6-4-15)21-18(24)14-7-9-22(10-8-14)17(23)12-20-11-13-1-2-13;/h3-6,13-14,20H,1-2,7-12H2,(H,21,24);1H
InChIKeyQFXKUTYYSYDYQW-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119768106) has the molecular formula C18H25ClFN3O2 and a molecular weight of 369.87 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119768106
Molecular FormulaC18H25ClFN3O2
Molecular Weight369.87 g/mol
Exact Mass369.16
IUPAC Name1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)cc1)C1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C18H24FN3O2.ClH/c19-15-3-5-16(6-4-15)21-18(24)14-7-9-22(10-8-14)17(23)12-20-11-13-1-2-13;/h3-6,13-14,20H,1-2,7-12H2,(H,21,24);1H
InChIKeyQFXKUTYYSYDYQW-UHFFFAOYSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119768326
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 51000910
2-(cyclopropylmethylamino)-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119710361
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2-(cyclopropylmethylamino)-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 119710362
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (CID 119768106) is 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(F)cc1)C1CCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is QFXKUTYYSYDYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2.ClH/c19-15-3-5-16(6-4-15)21-18(24)14-7-9-22(10-8-14)17(23)12-20-11-13-1-2-13;/h3-6,13-14,20H,1-2,7-12H2,(H,21,24);1H.
What are the key properties of 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 369.87 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119768106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).