N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide

C19H28N2O — CID 99797989

IUPACN-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C19H28N2O/c1-21-14-6-5-9-17(21)12-13-18(22)20-19(16-10-11-16)15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3,(H,20,22)/t17-,19-/m0/s1
InChIKeyODZOATBUMWMBEV-HKUYNNGSSA-N
MW300.45 g/mol
LogP3.52
Rot. Bonds6

About N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide

N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide (PubChem CID 99797989) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
PubChem CID99797989
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C19H28N2O/c1-21-14-6-5-9-17(21)12-13-18(22)20-19(16-10-11-16)15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3,(H,20,22)/t17-,19-/m0/s1
InChIKeyODZOATBUMWMBEV-HKUYNNGSSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
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N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide
CID 98878574
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CID 18131666
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The IUPAC name of N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide (CID 99797989) is N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide.
What is the SMILES notation for N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The canonical SMILES for N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide is CN1CCCC[C@H]1CCC(=O)N[C@@H](c1ccccc1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The InChIKey is ODZOATBUMWMBEV-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H28N2O/c1-21-14-6-5-9-17(21)12-13-18(22)20-19(16-10-11-16)15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3,(H,20,22)/t17-,19-/m0/s1.
What are the key properties of N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide has a molecular weight of 300.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide is sourced from PubChem (CID 99797989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).