N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide

C18H28N2O — CID 67827033

IUPACN-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide
SMILESCC(=O)NCC[C@H](C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C18H28N2O/c1-15(10-11-19-16(2)21)14-17-8-4-5-9-18(17)20-12-6-3-7-13-20/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyBVVNXIRDMPAARJ-HNNXBMFYSA-N
MW288.44 g/mol
LogP3.38
Rot. Bonds6

About N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide

N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide (PubChem CID 67827033) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide
PubChem CID67827033
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide
SMILESCC(=O)NCC[C@H](C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C18H28N2O/c1-15(10-11-19-16(2)21)14-17-8-4-5-9-18(17)20-12-6-3-7-13-20/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyBVVNXIRDMPAARJ-HNNXBMFYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 39869621
N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide
CID 10589467
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 68621079
1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473354
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
2-acetamido-2-cyclopentyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55981326
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide?
The IUPAC name of N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide (CID 67827033) is N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide.
What is the SMILES notation for N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide?
The canonical SMILES for N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide is CC(=O)NCC[C@H](C)Cc1ccccc1N1CCCCC1.
What is the InChIKey of N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide?
The InChIKey is BVVNXIRDMPAARJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(10-11-19-16(2)21)14-17-8-4-5-9-18(17)20-12-6-3-7-13-20/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide?
N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide is sourced from PubChem (CID 67827033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).