N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide

C21H30N4O — CID 97085545

IUPACN-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2C(C)C)C1
InChIInChI=1S/C21H30N4O/c1-16(2)21-19(15-25(23-21)20-9-5-4-6-10-20)14-24-11-7-8-18(13-24)12-22-17(3)26/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3,(H,22,26)/t18-/m0/s1
InChIKeyFOYXGQIZOUFCHF-SFHVURJKSA-N
MW354.50 g/mol
LogP3.34
Rot. Bonds6

About N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide

N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 97085545) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
PubChem CID97085545
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2C(C)C)C1
InChIInChI=1S/C21H30N4O/c1-16(2)21-19(15-25(23-21)20-9-5-4-6-10-20)14-24-11-7-8-18(13-24)12-22-17(3)26/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3,(H,22,26)/t18-/m0/s1
InChIKeyFOYXGQIZOUFCHF-SFHVURJKSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 25281255
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 86903270
N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 97237498
[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133380211

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide (CID 97085545) is N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2C(C)C)C1.
What is the InChIKey of N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is FOYXGQIZOUFCHF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16(2)21-19(15-25(23-21)20-9-5-4-6-10-20)14-24-11-7-8-18(13-24)12-22-17(3)26/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 97085545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).