N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide

C18H30N2O — CID 129432725

IUPACN-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCN(C[C@H]2C[C@H]3C=C[C@H]2C3)C1
InChIInChI=1S/C18H30N2O/c1-13(2)18(21)19-10-15-4-3-7-20(11-15)12-17-9-14-5-6-16(17)8-14/h5-6,13-17H,3-4,7-12H2,1-2H3,(H,19,21)/t14-,15-,16-,17+/m0/s1
InChIKeyBDVGNXDKVZYOMF-LUKYLMHMSA-N
MW290.45 g/mol
LogP2.68
Rot. Bonds5

About N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 129432725) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID129432725
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCN(C[C@H]2C[C@H]3C=C[C@H]2C3)C1
InChIInChI=1S/C18H30N2O/c1-13(2)18(21)19-10-15-4-3-7-20(11-15)12-17-9-14-5-6-16(17)8-14/h5-6,13-17H,3-4,7-12H2,1-2H3,(H,19,21)/t14-,15-,16-,17+/m0/s1
InChIKeyBDVGNXDKVZYOMF-LUKYLMHMSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 111106202
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide
CID 95281336
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
(4-benzylpiperidin-1-yl)-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-3-yl]methanone
CID 5205843
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
N-[[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110922141

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide (CID 129432725) is N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H]1CCCN(C[C@H]2C[C@H]3C=C[C@H]2C3)C1.
What is the InChIKey of N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is BDVGNXDKVZYOMF-LUKYLMHMSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)18(21)19-10-15-4-3-7-20(11-15)12-17-9-14-5-6-16(17)8-14/h5-6,13-17H,3-4,7-12H2,1-2H3,(H,19,21)/t14-,15-,16-,17+/m0/s1.
What are the key properties of N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 290.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 129432725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).