N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide

C24H36N4O2 — CID 42527282

IUPACN-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C24H36N4O2/c1-19(29)25-22-6-4-20(5-7-22)18-26-14-10-23(11-15-26)27-16-8-21(9-17-27)24(30)28-12-2-3-13-28/h4-7,21,23H,2-3,8-18H2,1H3,(H,25,29)
InChIKeyWENLYDLZHFDKJH-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.94
Rot. Bonds5

About N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 42527282) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID42527282
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C24H36N4O2/c1-19(29)25-22-6-4-20(5-7-22)18-26-14-10-23(11-15-26)27-16-8-21(9-17-27)24(30)28-12-2-3-13-28/h4-7,21,23H,2-3,8-18H2,1H3,(H,25,29)
InChIKeyWENLYDLZHFDKJH-UHFFFAOYSA-N
XLogP2.94
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
[1-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 29213317
[1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42216623
N-[4-[[4-(1-benzoylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 3817054
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 26315830
N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 46976904
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide (CID 42527282) is N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1.
What is the InChIKey of N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is WENLYDLZHFDKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-19(29)25-22-6-4-20(5-7-22)18-26-14-10-23(11-15-26)27-16-8-21(9-17-27)24(30)28-12-2-3-13-28/h4-7,21,23H,2-3,8-18H2,1H3,(H,25,29).
What are the key properties of N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 412.58 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 42527282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).