N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide

C13H24N2O2 — CID 72859408

IUPACN-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NC2CC2)CC[C@]1(C)O
InChIInChI=1S/C13H24N2O2/c1-10-9-15(8-6-13(10,2)17)7-5-12(16)14-11-3-4-11/h10-11,17H,3-9H2,1-2H3,(H,14,16)/t10-,13+/m1/s1
InChIKeyBVIQSRLHPFUKBB-MFKMUULPSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds4

About N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide

N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide (PubChem CID 72859408) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide
PubChem CID72859408
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NC2CC2)CC[C@]1(C)O
InChIInChI=1S/C13H24N2O2/c1-10-9-15(8-6-13(10,2)17)7-5-12(16)14-11-3-4-11/h10-11,17H,3-9H2,1-2H3,(H,14,16)/t10-,13+/m1/s1
InChIKeyBVIQSRLHPFUKBB-MFKMUULPSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide
CID 72872519
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
N-cyclopropyl-3-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106672855
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
N-cyclopropyl-3-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499450
1-ethyl-3,4-dimethylpiperidin-4-ol
CID 54248940
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid
CID 62626328
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide (CID 72859408) is N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide is C[C@@H]1CN(CCC(=O)NC2CC2)CC[C@]1(C)O.
What is the InChIKey of N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide?
The InChIKey is BVIQSRLHPFUKBB-MFKMUULPSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-9-15(8-6-13(10,2)17)7-5-12(16)14-11-3-4-11/h10-11,17H,3-9H2,1-2H3,(H,14,16)/t10-,13+/m1/s1.
What are the key properties of N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide?
N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide has a molecular weight of 240.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 72859408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).