N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide

C18H24N4O — CID 17490913

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
SMILESCn1ccnc1C(NC(=O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-21-13-10-19-18(21)17(15-8-4-2-5-9-15)20-16(23)14-22-11-6-3-7-12-22/h2,4-5,8-10,13,17H,3,6-7,11-12,14H2,1H3,(H,20,23)
InChIKeyPWUPIOCSBIPETR-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.11
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide (PubChem CID 17490913) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
PubChem CID17490913
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
SMILESCn1ccnc1C(NC(=O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-21-13-10-19-18(21)17(15-8-4-2-5-9-15)20-16(23)14-22-11-6-3-7-12-22/h2,4-5,8-10,13,17H,3,6-7,11-12,14H2,1H3,(H,20,23)
InChIKeyPWUPIOCSBIPETR-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide 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

3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 24683970
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 90647674
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 17424139
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 99940755
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 42933607
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-naphthalen-1-yloxyacetamide
CID 17446536

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide (CID 17490913) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide is Cn1ccnc1C(NC(=O)CN1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide?
The InChIKey is PWUPIOCSBIPETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-13-10-19-18(21)17(15-8-4-2-5-9-15)20-16(23)14-22-11-6-3-7-12-22/h2,4-5,8-10,13,17H,3,6-7,11-12,14H2,1H3,(H,20,23).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide has a molecular weight of 312.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 17490913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).