4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one

C20H32N8O2 — CID 28685441

IUPAC4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C20H32N8O2/c29-20(27-10-2-1-5-18(27)7-12-26-9-4-8-21-26)6-3-11-28-19(22-23-24-28)17-25-13-15-30-16-14-25/h4,8-9,18H,1-3,5-7,10-17H2/t18-/m1/s1
InChIKeySPKHMQUVQZOZCR-GOSISDBHSA-N
MW416.53 g/mol
LogP0.95
Rot. Bonds9

About 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one

4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one (PubChem CID 28685441) has the molecular formula C20H32N8O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one
PubChem CID28685441
Molecular FormulaC20H32N8O2
Molecular Weight416.53 g/mol
Exact Mass416.26
IUPAC Name4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C20H32N8O2/c29-20(27-10-2-1-5-18(27)7-12-26-9-4-8-21-26)6-3-11-28-19(22-23-24-28)17-25-13-15-30-16-14-25/h4,8-9,18H,1-3,5-7,10-17H2/t18-/m1/s1
InChIKeySPKHMQUVQZOZCR-GOSISDBHSA-N
XLogP0.95
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
CID 29258468
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 45199802
ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate
CID 25382715
1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 97277818
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26398739
1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 26394254
1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 99929057
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 70742954
3-(4-chloropyrazol-1-yl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 70735720
N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 45221297

Frequently Asked Questions

What is the IUPAC name of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one (CID 28685441) is 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one is O=C(CCCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1.
What is the InChIKey of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one?
The InChIKey is SPKHMQUVQZOZCR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N8O2/c29-20(27-10-2-1-5-18(27)7-12-26-9-4-8-21-26)6-3-11-28-19(22-23-24-28)17-25-13-15-30-16-14-25/h4,8-9,18H,1-3,5-7,10-17H2/t18-/m1/s1.
What are the key properties of 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one?
4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one has a molecular weight of 416.53 g/mol, XLogP of 0.95, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 28685441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).