N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide

C13H23ClN2O — CID 95291109

IUPACN-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESC=C(Cl)CN1CCC[C@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C13H23ClN2O/c1-10(2)13(17)15-7-12-5-4-6-16(9-12)8-11(3)14/h10,12H,3-9H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyXLRMXHGCNPEOTN-GFCCVEGCSA-N
MW258.79 g/mol
LogP2.22
Rot. Bonds5

About N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 95291109) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID95291109
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC NameN-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESC=C(Cl)CN1CCC[C@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C13H23ClN2O/c1-10(2)13(17)15-7-12-5-4-6-16(9-12)8-11(3)14/h10,12H,3-9H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyXLRMXHGCNPEOTN-GFCCVEGCSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide
CID 95281336
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 111106202
(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 129432725
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 95291109) is N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide is C=C(Cl)CN1CCC[C@H](CNC(=O)C(C)C)C1.
What is the InChIKey of N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is XLRMXHGCNPEOTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23ClN2O/c1-10(2)13(17)15-7-12-5-4-6-16(9-12)8-11(3)14/h10,12H,3-9H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 258.79 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 95291109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).