N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide

C20H33N3O — CID 119165178

IUPACN-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O/c1-3-17(2)22-20(24)9-13-21-19-11-15-23(16-12-19)14-10-18-7-5-4-6-8-18/h4-8,17,19,21H,3,9-16H2,1-2H3,(H,22,24)
InChIKeyWNXCRSPOLISDAF-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.59
Rot. Bonds9

About N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide

N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide (PubChem CID 119165178) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
PubChem CID119165178
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
SMILESCCC(C)NC(=O)CCNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O/c1-3-17(2)22-20(24)9-13-21-19-11-15-23(16-12-19)14-10-18-7-5-4-6-8-18/h4-8,17,19,21H,3,9-16H2,1-2H3,(H,22,24)
InChIKeyWNXCRSPOLISDAF-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 119165252
4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
CID 122127811
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide (CID 119165178) is N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide is CCC(C)NC(=O)CCNC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide?
The InChIKey is WNXCRSPOLISDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-17(2)22-20(24)9-13-21-19-11-15-23(16-12-19)14-10-18-7-5-4-6-8-18/h4-8,17,19,21H,3,9-16H2,1-2H3,(H,22,24).
What are the key properties of N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide?
N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide has a molecular weight of 331.50 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide is sourced from PubChem (CID 119165178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).