N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

C18H33N3O — CID 120903015

IUPACN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCC1(CN2CCC(NC(=O)C3CCCCC3)CC2)CCNC1
InChIInChI=1S/C18H33N3O/c1-18(9-10-19-13-18)14-21-11-7-16(8-12-21)20-17(22)15-5-3-2-4-6-15/h15-16,19H,2-14H2,1H3,(H,20,22)
InChIKeyBFJKXCNKIMGTFU-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.15
Rot. Bonds4

About N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 120903015) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID120903015
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC NameN-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCC1(CN2CCC(NC(=O)C3CCCCC3)CC2)CCNC1
InChIInChI=1S/C18H33N3O/c1-18(9-10-19-13-18)14-21-11-7-16(8-12-21)20-17(22)15-5-3-2-4-6-15/h15-16,19H,2-14H2,1H3,(H,20,22)
InChIKeyBFJKXCNKIMGTFU-UHFFFAOYSA-N
XLogP2.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide 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

2-cyclopentyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
CID 120903296
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47395832
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
CID 120898475
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120899912
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
1-[(3-methylpyrrolidin-3-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 120899520
N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120897745
2,2-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]propanamide;hydrochloride
CID 120899846
1-(azepan-1-yl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120897835
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine
CID 120905754
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide
CID 91660383

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (CID 120903015) is N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is CC1(CN2CCC(NC(=O)C3CCCCC3)CC2)CCNC1.
What is the InChIKey of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is BFJKXCNKIMGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-18(9-10-19-13-18)14-21-11-7-16(8-12-21)20-17(22)15-5-3-2-4-6-15/h15-16,19H,2-14H2,1H3,(H,20,22).
What are the key properties of N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 307.48 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 120903015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).