N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide

C22H35N3O — CID 119866502

IUPACN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccc(C(CNC(=O)CC(C)C2CCNCC2)N2CCCC2)cc1
InChIInChI=1S/C22H35N3O/c1-17-5-7-20(8-6-17)21(25-13-3-4-14-25)16-24-22(26)15-18(2)19-9-11-23-12-10-19/h5-8,18-19,21,23H,3-4,9-16H2,1-2H3,(H,24,26)
InChIKeyRXACMQFGWZRBOB-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119866502) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
PubChem CID119866502
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccc(C(CNC(=O)CC(C)C2CCNCC2)N2CCCC2)cc1
InChIInChI=1S/C22H35N3O/c1-17-5-7-20(8-6-17)21(25-13-3-4-14-25)16-24-22(26)15-18(2)19-9-11-23-12-10-19/h5-8,18-19,21,23H,3-4,9-16H2,1-2H3,(H,24,26)
InChIKeyRXACMQFGWZRBOB-UHFFFAOYSA-N
XLogP3.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide
CID 119829974
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide
CID 119829702
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119866490
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119865999
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119875170
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
(2S,4S)-2-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;hydrochloride
CID 120634783
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 125440898
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide (CID 119866502) is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide is Cc1ccc(C(CNC(=O)CC(C)C2CCNCC2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is RXACMQFGWZRBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-17-5-7-20(8-6-17)21(25-13-3-4-14-25)16-24-22(26)15-18(2)19-9-11-23-12-10-19/h5-8,18-19,21,23H,3-4,9-16H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide?
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 357.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119866502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).