(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride

C18H27ClFN3O2 — CID 119710991

IUPAC(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-12(2)11-16(20)17(23)21-13-7-9-22(10-8-13)18(24)14-5-3-4-6-15(14)19;/h3-6,12-13,16H,7-11,20H2,1-2H3,(H,21,23);1H/t16-;/m0./s1
InChIKeyDXDAJRCOCPEPNE-NTISSMGPSA-N
MW371.88 g/mol
LogP2.34
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride (PubChem CID 119710991) has the molecular formula C18H27ClFN3O2 and a molecular weight of 371.88 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
PubChem CID119710991
Molecular FormulaC18H27ClFN3O2
Molecular Weight371.88 g/mol
Exact Mass371.18
IUPAC Name(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.Cl
InChIInChI=1S/C18H26FN3O2.ClH/c1-12(2)11-16(20)17(23)21-13-7-9-22(10-8-13)18(24)14-5-3-4-6-15(14)19;/h3-6,12-13,16H,7-11,20H2,1-2H3,(H,21,23);1H/t16-;/m0./s1
InChIKeyDXDAJRCOCPEPNE-NTISSMGPSA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.88
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287
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CID 51329108
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 47056458
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 55703255
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide
CID 55710997
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154884603
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride (CID 119710991) is (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride?
The InChIKey is DXDAJRCOCPEPNE-NTISSMGPSA-N. The full InChI is InChI=1S/C18H26FN3O2.ClH/c1-12(2)11-16(20)17(23)21-13-7-9-22(10-8-13)18(24)14-5-3-4-6-15(14)19;/h3-6,12-13,16H,7-11,20H2,1-2H3,(H,21,23);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride has a molecular weight of 371.88 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119710991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).