N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide

C16H31N3O2 — CID 119761645

IUPACN-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1
InChIInChI=1S/C16H31N3O2/c1-5-7-13(20)18-10-12-8-6-9-19(11-12)15(21)14(17)16(2,3)4/h12,14H,5-11,17H2,1-4H3,(H,18,20)/t12?,14-/m1/s1
InChIKeyFVLKWBSTHZJRFF-TYZXPVIJSA-N
MW297.44 g/mol
LogP1.51
Rot. Bonds5

About N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide

N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide (PubChem CID 119761645) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
PubChem CID119761645
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1
InChIInChI=1S/C16H31N3O2/c1-5-7-13(20)18-10-12-8-6-9-19(11-12)15(21)14(17)16(2,3)4/h12,14H,5-11,17H2,1-4H3,(H,18,20)/t12?,14-/m1/s1
InChIKeyFVLKWBSTHZJRFF-TYZXPVIJSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761640
N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 95158748
2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
CID 77024566
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide (CID 119761645) is N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NCC1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1.
What is the InChIKey of N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is FVLKWBSTHZJRFF-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-7-13(20)18-10-12-8-6-9-19(11-12)15(21)14(17)16(2,3)4/h12,14H,5-11,17H2,1-4H3,(H,18,20)/t12?,14-/m1/s1.
What are the key properties of N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide?
N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 297.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 119761645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).