N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide

C21H30N2O3 — CID 97312968

IUPACN-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1
InChIInChI=1S/C21H30N2O3/c1-2-6-20(25)22-13-15-7-5-10-23(14-15)21(26)18-11-16-8-3-4-9-17(16)12-19(18)24/h11-12,15,24H,2-10,13-14H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyONCFKHHENLTDGV-HNNXBMFYSA-N
MW358.48 g/mol
LogP3.04
Rot. Bonds5

About N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide

N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide (PubChem CID 97312968) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide
PubChem CID97312968
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1
InChIInChI=1S/C21H30N2O3/c1-2-6-20(25)22-13-15-7-5-10-23(14-15)21(26)18-11-16-8-3-4-9-17(16)12-19(18)24/h11-12,15,24H,2-10,13-14H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyONCFKHHENLTDGV-HNNXBMFYSA-N
XLogP3.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide with MolForge

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Related Compounds

N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-[[(3S)-1-[2-(2,5-dimethylpyrrol-1-yl)-5-methylbenzoyl]piperidin-3-yl]methyl]butanamide
CID 52861399
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-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 119761665
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide (CID 97312968) is N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1.
What is the InChIKey of N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is ONCFKHHENLTDGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-6-20(25)22-13-15-7-5-10-23(14-15)21(26)18-11-16-8-3-4-9-17(16)12-19(18)24/h11-12,15,24H,2-10,13-14H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide?
N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 358.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 97312968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).