5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide

C26H39N3O3 — CID 3889047

IUPAC5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C26H39N3O3/c1-19-12-14-29(15-13-19)24-10-9-21(28-25(30)11-8-20-5-2-3-6-20)17-23(24)26(31)27-18-22-7-4-16-32-22/h9-10,17,19-20,22H,2-8,11-16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyLXMMJCQJQOVDSW-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.74
Rot. Bonds8

About 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide

5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3889047) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3889047
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C26H39N3O3/c1-19-12-14-29(15-13-19)24-10-9-21(28-25(30)11-8-20-5-2-3-6-20)17-23(24)26(31)27-18-22-7-4-16-32-22/h9-10,17,19-20,22H,2-8,11-16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyLXMMJCQJQOVDSW-UHFFFAOYSA-N
XLogP4.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorobutanoylamino)-2-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7214956
5-(2,2-dimethylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3970023
5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
CID 5152082
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1066960
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3283955
5-[(4-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42757268
5-(3,3-dimethylbutanoylamino)-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5011240
5-[(3-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42757273
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42662041
5-[(4-ethoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93099870
5-(cyclopropanecarbonylamino)-N-[[(2S)-oxolan-2-yl]methyl]-2-piperidin-1-ylbenzamide
CID 1055088
5-(cyclopropanecarbonylamino)-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-ylbenzamide
CID 1055087

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 3889047) is 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide is CC1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LXMMJCQJQOVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-19-12-14-29(15-13-19)24-10-9-21(28-25(30)11-8-20-5-2-3-6-20)17-23(24)26(31)27-18-22-7-4-16-32-22/h9-10,17,19-20,22H,2-8,11-16,18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide?
5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 441.62 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3889047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).