3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide

C21H33N3O — CID 119862150

IUPAC3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(CCN2CCCC2)cc1)C1CCNCC1
InChIInChI=1S/C21H33N3O/c1-17(19-8-11-22-12-9-19)16-21(25)23-20-6-4-18(5-7-20)10-15-24-13-2-3-14-24/h4-7,17,19,22H,2-3,8-16H2,1H3,(H,23,25)
InChIKeyAHMCIIJPQKEYRL-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.29
Rot. Bonds7

About 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide

3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide (PubChem CID 119862150) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
PubChem CID119862150
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(CCN2CCCC2)cc1)C1CCNCC1
InChIInChI=1S/C21H33N3O/c1-17(19-8-11-22-12-9-19)16-21(25)23-20-6-4-18(5-7-20)10-15-24-13-2-3-14-24/h4-7,17,19,22H,2-3,8-16H2,1H3,(H,23,25)
InChIKeyAHMCIIJPQKEYRL-UHFFFAOYSA-N
XLogP3.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide 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

N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119749383
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 119843495
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
CID 119762304

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide (CID 119862150) is 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide is CC(CC(=O)Nc1ccc(CCN2CCCC2)cc1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide?
The InChIKey is AHMCIIJPQKEYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17(19-8-11-22-12-9-19)16-21(25)23-20-6-4-18(5-7-20)10-15-24-13-2-3-14-24/h4-7,17,19,22H,2-3,8-16H2,1H3,(H,23,25).
What are the key properties of 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide?
3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide has a molecular weight of 343.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide is sourced from PubChem (CID 119862150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).