N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide

C23H36N4O — CID 46976904

IUPACN-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(N2CCCC2)CC1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H36N4O/c28-23(19-26-16-10-22(11-17-26)27-14-4-5-15-27)24-21-8-6-20(7-9-21)18-25-12-2-1-3-13-25/h6-9,22H,1-5,10-19H2,(H,24,28)
InChIKeyKJFKZSZLCFVMEM-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.17
Rot. Bonds6

About N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide

N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 46976904) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
PubChem CID46976904
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(N2CCCC2)CC1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H36N4O/c28-23(19-26-16-10-22(11-17-26)27-14-4-5-15-27)24-21-8-6-20(7-9-21)18-25-12-2-1-3-13-25/h6-9,22H,1-5,10-19H2,(H,24,28)
InChIKeyKJFKZSZLCFVMEM-UHFFFAOYSA-N
XLogP3.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42527282
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-(cyclopropylamino)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 43816897
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-[4-(azepan-1-ylmethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 46958365
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-(4-aminophenyl)-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]acetamide;dihydrochloride
CID 119871130

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide (CID 46976904) is N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide is O=C(CN1CCC(N2CCCC2)CC1)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is KJFKZSZLCFVMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c28-23(19-26-16-10-22(11-17-26)27-14-4-5-15-27)24-21-8-6-20(7-9-21)18-25-12-2-1-3-13-25/h6-9,22H,1-5,10-19H2,(H,24,28).
What are the key properties of N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 384.57 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 46976904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).