N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide

C11H21FN2O — CID 129348452

IUPACN-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC[C@@H](C)F)CC1
InChIInChI=1S/C11H21FN2O/c1-9-4-7-14(8-5-9)11(15)13-6-3-10(2)12/h9-10H,3-8H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeySBLYEKLSWAVZNC-SNVBAGLBSA-N
MW216.30 g/mol
LogP2.18
Rot. Bonds3

About N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide

N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide (PubChem CID 129348452) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
PubChem CID129348452
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC NameN-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC[C@@H](C)F)CC1
InChIInChI=1S/C11H21FN2O/c1-9-4-7-14(8-5-9)11(15)13-6-3-10(2)12/h9-10H,3-8H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeySBLYEKLSWAVZNC-SNVBAGLBSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 115583128
4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate
CID 52539083
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide (CID 129348452) is N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCC[C@@H](C)F)CC1.
What is the InChIKey of N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is SBLYEKLSWAVZNC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-9-4-7-14(8-5-9)11(15)13-6-3-10(2)12/h9-10H,3-8H2,1-2H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide?
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 216.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 129348452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).