N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide

C17H32N4O2 — CID 95300532

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CNCC1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C17H32N4O2/c1-13(2)17(4,12-18)20-16(23)10-19-9-15-5-7-21(8-6-15)11-14(3)22/h13-15,19,22H,5-11H2,1-4H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyOXAKLDUHRWRDPK-PBHICJAKSA-N
MW324.47 g/mol
LogP0.72
Rot. Bonds8

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide (PubChem CID 95300532) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide
PubChem CID95300532
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CNCC1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C17H32N4O2/c1-13(2)17(4,12-18)20-16(23)10-19-9-15-5-7-21(8-6-15)11-14(3)22/h13-15,19,22H,5-11H2,1-4H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyOXAKLDUHRWRDPK-PBHICJAKSA-N
XLogP0.72
TPSA88.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide with MolForge

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 31930775
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51287537
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 51227036
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide
CID 55478417
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide
CID 99792082
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95324163
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606007

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide (CID 95300532) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide is CC(C)[C@](C)(C#N)NC(=O)CNCC1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide?
The InChIKey is OXAKLDUHRWRDPK-PBHICJAKSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13(2)17(4,12-18)20-16(23)10-19-9-15-5-7-21(8-6-15)11-14(3)22/h13-15,19,22H,5-11H2,1-4H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide has a molecular weight of 324.47 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide is sourced from PubChem (CID 95300532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).