N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide

C21H38N4O2 — CID 95785641

IUPACN,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide
SMILESCC[C@H](C)N(C(=O)CN(C)C1CCN(Cc2cc(C)no2)CC1)[C@@H](C)CC
InChIInChI=1S/C21H38N4O2/c1-7-17(4)25(18(5)8-2)21(26)15-23(6)19-9-11-24(12-10-19)14-20-13-16(3)22-27-20/h13,17-19H,7-12,14-15H2,1-6H3/t17-,18-/m0/s1
InChIKeyQPWXLSYJABARCA-ROUUACIJSA-N
MW378.56 g/mol
LogP3.30
Rot. Bonds9

About N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide

N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide (PubChem CID 95785641) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide
PubChem CID95785641
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC NameN,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide
SMILESCC[C@H](C)N(C(=O)CN(C)C1CCN(Cc2cc(C)no2)CC1)[C@@H](C)CC
InChIInChI=1S/C21H38N4O2/c1-7-17(4)25(18(5)8-2)21(26)15-23(6)19-9-11-24(12-10-19)14-20-13-16(3)22-27-20/h13,17-19H,7-12,14-15H2,1-6H3/t17-,18-/m0/s1
InChIKeyQPWXLSYJABARCA-ROUUACIJSA-N
XLogP3.30
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide?
The IUPAC name of N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide (CID 95785641) is N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide.
What is the SMILES notation for N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide?
The canonical SMILES for N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide is CC[C@H](C)N(C(=O)CN(C)C1CCN(Cc2cc(C)no2)CC1)[C@@H](C)CC.
What is the InChIKey of N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide?
The InChIKey is QPWXLSYJABARCA-ROUUACIJSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-7-17(4)25(18(5)8-2)21(26)15-23(6)19-9-11-24(12-10-19)14-20-13-16(3)22-27-20/h13,17-19H,7-12,14-15H2,1-6H3/t17-,18-/m0/s1.
What are the key properties of N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide?
N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide has a molecular weight of 378.56 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2S)-butan-2-yl]-2-[methyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]amino]acetamide is sourced from PubChem (CID 95785641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).