N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide

C15H29FN2O — CID 170184761

IUPACN-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide
SMILESCC(C)CCN1CC[C@H](N(C)C(=O)C(C)C)[C@@H](F)C1
InChIInChI=1S/C15H29FN2O/c1-11(2)6-8-18-9-7-14(13(16)10-18)17(5)15(19)12(3)4/h11-14H,6-10H2,1-5H3/t13-,14-/m0/s1
InChIKeyQIKYDBLUXSFMPU-KBPBESRZSA-N
MW272.41 g/mol
LogP2.56
Rot. Bonds5

About N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide

N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide (PubChem CID 170184761) has the molecular formula C15H29FN2O and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide
PubChem CID170184761
Molecular FormulaC15H29FN2O
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC NameN-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide
SMILESCC(C)CCN1CC[C@H](N(C)C(=O)C(C)C)[C@@H](F)C1
InChIInChI=1S/C15H29FN2O/c1-11(2)6-8-18-9-7-14(13(16)10-18)17(5)15(19)12(3)4/h11-14H,6-10H2,1-5H3/t13-,14-/m0/s1
InChIKeyQIKYDBLUXSFMPU-KBPBESRZSA-N
XLogP2.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
CID 157028689
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
N,N-dimethyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 175620267
3-[methyl-[1-(3-methylbutyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004327
1,1,1-trifluoro-3-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]propan-2-one
CID 59085041
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
CID 174922381
N,4-dimethyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233555
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
methyl (3R,4S)-4-hydroxy-1-(3-methylbutyl)piperidine-3-carboxylate
CID 129493249

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide (CID 170184761) is N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide is CC(C)CCN1CC[C@H](N(C)C(=O)C(C)C)[C@@H](F)C1.
What is the InChIKey of N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide?
The InChIKey is QIKYDBLUXSFMPU-KBPBESRZSA-N. The full InChI is InChI=1S/C15H29FN2O/c1-11(2)6-8-18-9-7-14(13(16)10-18)17(5)15(19)12(3)4/h11-14H,6-10H2,1-5H3/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide?
N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide has a molecular weight of 272.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 170184761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).