1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one

C21H30N6O2 — CID 25395366

IUPAC1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESCc1ccccc1[C@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C21H30N6O2/c1-17-5-2-3-7-19(17)18-6-4-9-26(15-18)21(28)8-10-27-20(22-23-24-27)16-25-11-13-29-14-12-25/h2-3,5,7,18H,4,6,8-16H2,1H3/t18-/m0/s1
InChIKeyDLSRQGLTGMQTCT-SFHVURJKSA-N
MW398.51 g/mol
LogP1.61
Rot. Bonds6

About 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one

1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (PubChem CID 25395366) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
PubChem CID25395366
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESCc1ccccc1[C@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C21H30N6O2/c1-17-5-2-3-7-19(17)18-6-4-9-26(15-18)21(28)8-10-27-20(22-23-24-27)16-25-11-13-29-14-12-25/h2-3,5,7,18H,4,6,8-16H2,1H3/t18-/m0/s1
InChIKeyDLSRQGLTGMQTCT-SFHVURJKSA-N
XLogP1.61
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-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

4-[(1-{4-[3-(4-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24819272
4-[2-Methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-morpholine
CID 655880
4-[(1-{4-[3-(2-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24790697
4-Benzyl-1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-piperidine
CID 6602571
1-[3-(2-Fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24794257
1-[3-(3-Chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24819390
4-Benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine
CID 644368
1-[3-(2-Chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24817233
4-methyl-1-({1-[4-oxo-4-(4-phenyl-1-piperidinyl)butyl]-1H-tetrazol-5-yl}methyl)piperidine
CID 42593877
4-[(1-{3-[2-(4-fluorophenyl)-1-pyrrolidinyl]-3-oxopropyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 45210584
1-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 96404582
1-[(3S)-3-(4-benzylpiperidin-1-yl)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]ethanone
CID 164625656

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (CID 25395366) is 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is Cc1ccccc1[C@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The InChIKey is DLSRQGLTGMQTCT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-17-5-2-3-7-19(17)18-6-4-9-26(15-18)21(28)8-10-27-20(22-23-24-27)16-25-11-13-29-14-12-25/h2-3,5,7,18H,4,6,8-16H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one has a molecular weight of 398.51 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is sourced from PubChem (CID 25395366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).