3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide

C24H30N4O3 — CID 47056405

IUPAC3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C24H30N4O3/c29-22(9-8-18-6-2-1-3-7-18)26-20-10-14-28(15-11-20)23(30)19-16-21(25-17-19)24(31)27-12-4-5-13-27/h1-3,6-7,16-17,20,25H,4-5,8-15H2,(H,26,29)
InChIKeyVGPFARLSGFZHNL-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.60
Rot. Bonds6

About 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide

3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide (PubChem CID 47056405) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
PubChem CID47056405
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C24H30N4O3/c29-22(9-8-18-6-2-1-3-7-18)26-20-10-14-28(15-11-20)23(30)19-16-21(25-17-19)24(31)27-12-4-5-13-27/h1-3,6-7,16-17,20,25H,4-5,8-15H2,(H,26,29)
InChIKeyVGPFARLSGFZHNL-UHFFFAOYSA-N
XLogP2.60
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
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N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
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3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
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N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
N-[1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455343
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide (CID 47056405) is 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide is O=C(CCc1ccccc1)NC1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1.
What is the InChIKey of 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is VGPFARLSGFZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-22(9-8-18-6-2-1-3-7-18)26-20-10-14-28(15-11-20)23(30)19-16-21(25-17-19)24(31)27-12-4-5-13-27/h1-3,6-7,16-17,20,25H,4-5,8-15H2,(H,26,29).
What are the key properties of 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide?
3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 47056405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).