N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

C22H31N5O2 — CID 87007645

IUPACN-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC3CCCN(Cc4ccccc4)C3)CC2)on1
InChIInChI=1S/C22H31N5O2/c1-18-14-21(29-24-18)17-25-10-12-27(13-11-25)22(28)23-20-8-5-9-26(16-20)15-19-6-3-2-4-7-19/h2-4,6-7,14,20H,5,8-13,15-17H2,1H3,(H,23,28)
InChIKeyOOZUNZXRMRTHDA-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.47
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 87007645) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID87007645
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC3CCCN(Cc4ccccc4)C3)CC2)on1
InChIInChI=1S/C22H31N5O2/c1-18-14-21(29-24-18)17-25-10-12-27(13-11-25)22(28)23-20-8-5-9-26(16-20)15-19-6-3-2-4-7-19/h2-4,6-7,14,20H,5,8-13,15-17H2,1H3,(H,23,28)
InChIKeyOOZUNZXRMRTHDA-UHFFFAOYSA-N
XLogP2.47
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125176454
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119066540
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
N-[(3S)-1-benzylpiperidin-3-yl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 126442251
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
CID 94099552
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
1-(1-benzylpiperidin-4-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 56861008
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
CID 78857796
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 94054984

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (CID 87007645) is N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NC3CCCN(Cc4ccccc4)C3)CC2)on1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is OOZUNZXRMRTHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-18-14-21(29-24-18)17-25-10-12-27(13-11-25)22(28)23-20-8-5-9-26(16-20)15-19-6-3-2-4-7-19/h2-4,6-7,14,20H,5,8-13,15-17H2,1H3,(H,23,28).
What are the key properties of N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 87007645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).