1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride

C19H27ClFN3O3 — CID 120791567

IUPAC1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CCOCC1
InChIInChI=1S/C19H26FN3O3.ClH/c20-15-1-3-16(4-2-15)22-18(24)14-5-9-23(10-6-14)19(25)17(21)13-7-11-26-12-8-13;/h1-4,13-14,17H,5-12,21H2,(H,22,24);1H
InChIKeyKXJZDGJKMPBDPW-UHFFFAOYSA-N
MW399.89 g/mol
LogP2.18
Rot. Bonds4

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

1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120791567) has the molecular formula C19H27ClFN3O3 and a molecular weight of 399.89 g/mol. Its IUPAC name is 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120791567
Molecular FormulaC19H27ClFN3O3
Molecular Weight399.89 g/mol
Exact Mass399.17
IUPAC Name1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CCOCC1
InChIInChI=1S/C19H26FN3O3.ClH/c20-15-1-3-16(4-2-15)22-18(24)14-5-9-23(10-6-14)19(25)17(21)13-7-11-26-12-8-13;/h1-4,13-14,17H,5-12,21H2,(H,22,24);1H
InChIKeyKXJZDGJKMPBDPW-UHFFFAOYSA-N
XLogP2.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 120788437
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
2-amino-2-(oxan-4-yl)-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
CID 120793505
2-amino-2-(oxan-4-yl)-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone
CID 120793506
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768106
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120790448
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007421
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride (CID 120791567) is 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is Cl.NC(C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CCOCC1.
What is the InChIKey of 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is KXJZDGJKMPBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3.ClH/c20-15-1-3-16(4-2-15)22-18(24)14-5-9-23(10-6-14)19(25)17(21)13-7-11-26-12-8-13;/h1-4,13-14,17H,5-12,21H2,(H,22,24);1H.
What are the key properties of 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 399.89 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120791567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).