N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide

C16H24N2O — CID 3292281

IUPACN-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-3-6-16(19)17-15-9-7-14(8-10-15)13-18-11-4-5-12-18/h7-10H,2-6,11-13H2,1H3,(H,17,19)
InChIKeyVLEAVPJPEFBIOL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.41
Rot. Bonds6

About N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide

N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide (PubChem CID 3292281) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
PubChem CID3292281
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-3-6-16(19)17-15-9-7-14(8-10-15)13-18-11-4-5-12-18/h7-10H,2-6,11-13H2,1H3,(H,17,19)
InChIKeyVLEAVPJPEFBIOL-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762064
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762073

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide (CID 3292281) is N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
The InChIKey is VLEAVPJPEFBIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-6-16(19)17-15-9-7-14(8-10-15)13-18-11-4-5-12-18/h7-10H,2-6,11-13H2,1H3,(H,17,19).
What are the key properties of N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide?
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide has a molecular weight of 260.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 3292281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).