N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide

C20H31N3O2 — CID 119761567

IUPACN-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCCN(C(=O)C(C)C(N)c2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-14(2)19(24)22-12-16-8-7-11-23(13-16)20(25)15(3)18(21)17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13,21H2,1-3H3,(H,22,24)
InChIKeyFKGBXJVOJVRUOE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.33
Rot. Bonds6

About N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide

N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 119761567) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID119761567
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCCN(C(=O)C(C)C(N)c2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-14(2)19(24)22-12-16-8-7-11-23(13-16)20(25)15(3)18(21)17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13,21H2,1-3H3,(H,22,24)
InChIKeyFKGBXJVOJVRUOE-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761640
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-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
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-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]-2-methylpropanamide;hydrochloride
CID 119761592
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
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 119761567) is N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CCCN(C(=O)C(C)C(N)c2ccccc2)C1.
What is the InChIKey of N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is FKGBXJVOJVRUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)19(24)22-12-16-8-7-11-23(13-16)20(25)15(3)18(21)17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13,21H2,1-3H3,(H,22,24).
What are the key properties of N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 2.33, 6 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]-2-methylpropanamide is sourced from PubChem (CID 119761567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).