N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride

C20H32ClN3O2 — CID 119761640

IUPACN-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC1CCCN(C(=O)C(C)C(N)c2ccccc2)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-3-8-18(24)22-13-16-9-7-12-23(14-16)20(25)15(2)19(21)17-10-5-4-6-11-17;/h4-6,10-11,15-16,19H,3,7-9,12-14,21H2,1-2H3,(H,22,24);1H
InChIKeyLPOHIBPFLALQJI-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.90
Rot. Bonds7

About N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride

N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride (PubChem CID 119761640) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
PubChem CID119761640
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC1CCCN(C(=O)C(C)C(N)c2ccccc2)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-3-8-18(24)22-13-16-9-7-12-23(14-16)20(25)15(2)19(21)17-10-5-4-6-11-17;/h4-6,10-11,15-16,19H,3,7-9,12-14,21H2,1-2H3,(H,22,24);1H
InChIKeyLPOHIBPFLALQJI-UHFFFAOYSA-N
XLogP2.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761567
N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 95158748
3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119758309
3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119867570
N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 119761645
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
3-amino-1-(3-benzylpyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119725030
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
3-amino-1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119880836

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride?
The IUPAC name of N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride (CID 119761640) is N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride is CCCC(=O)NCC1CCCN(C(=O)C(C)C(N)c2ccccc2)C1.Cl.
What is the InChIKey of N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride?
The InChIKey is LPOHIBPFLALQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-3-8-18(24)22-13-16-9-7-12-23(14-16)20(25)15(2)19(21)17-10-5-4-6-11-17;/h4-6,10-11,15-16,19H,3,7-9,12-14,21H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride?
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119761640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).