3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide

C18H29N3O — CID 120503779

IUPAC3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
SMILESCC(N)C(C)C(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-13(14(2)19)18(22)20-17-9-11-21(12-10-17)15(3)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12,19H2,1-3H3,(H,20,22)
InChIKeyDTWBEEBBZMCDIQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.31
Rot. Bonds5

About 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide

3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide (PubChem CID 120503779) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
PubChem CID120503779
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
SMILESCC(N)C(C)C(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-13(14(2)19)18(22)20-17-9-11-21(12-10-17)15(3)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12,19H2,1-3H3,(H,20,22)
InChIKeyDTWBEEBBZMCDIQ-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 119879171
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 111444164
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
methyl (2S)-2-[[1-[(1S)-1-phenylethyl]piperidin-4-yl]amino]butanoate
CID 124625205
1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
CID 111422903
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide (CID 120503779) is 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide is CC(N)C(C)C(=O)NC1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide?
The InChIKey is DTWBEEBBZMCDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(14(2)19)18(22)20-17-9-11-21(12-10-17)15(3)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide?
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide has a molecular weight of 303.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 120503779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).