N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide

C18H25FN2O2 — CID 95294159

IUPACN-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-2-4-17(22)20-12-15-5-3-10-21(13-15)18(23)11-14-6-8-16(19)9-7-14/h6-9,15H,2-5,10-13H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyMRDBRPFKYWPIQN-HNNXBMFYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds6

About N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide

N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide (PubChem CID 95294159) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
PubChem CID95294159
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-2-4-17(22)20-12-15-5-3-10-21(13-15)18(23)11-14-6-8-16(19)9-7-14/h6-9,15H,2-5,10-13H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyMRDBRPFKYWPIQN-HNNXBMFYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide
CID 124728676
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
CID 52861521
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55782704
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide (CID 95294159) is N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is MRDBRPFKYWPIQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-4-17(22)20-12-15-5-3-10-21(13-15)18(23)11-14-6-8-16(19)9-7-14/h6-9,15H,2-5,10-13H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide?
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95294159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).