N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide

C19H33N3O2 — CID 100703168

IUPACN-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1
InChIInChI=1S/C19H33N3O2/c1-16(2)18(23)21-13-17-5-3-9-22(14-17)10-4-6-19(15-20)7-11-24-12-8-19/h16-17H,3-14H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyIQFRPSKSIFAJKC-QGZVFWFLSA-N
MW335.49 g/mol
LogP2.57
Rot. Bonds7

About N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 100703168) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID100703168
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1
InChIInChI=1S/C19H33N3O2/c1-16(2)18(23)21-13-17-5-3-9-22(14-17)10-4-6-19(15-20)7-11-24-12-8-19/h16-17H,3-14H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyIQFRPSKSIFAJKC-QGZVFWFLSA-N
XLogP2.57
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 55176008
N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 111106202
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-[[(3S)-1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 129432725
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile
CID 165451404
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
CID 115184748

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide (CID 100703168) is N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1.
What is the InChIKey of N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is IQFRPSKSIFAJKC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-16(2)18(23)21-13-17-5-3-9-22(14-17)10-4-6-19(15-20)7-11-24-12-8-19/h16-17H,3-14H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 335.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[3-(4-cyanooxan-4-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 100703168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).