N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

C19H28N4O2 — CID 86800649

IUPACN-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCC(CN3CCCCC3)C2)cc1
InChIInChI=1S/C19H28N4O2/c1-15(24)20-17-5-7-18(8-6-17)21-19(25)23-12-9-16(14-23)13-22-10-3-2-4-11-22/h5-8,16H,2-4,9-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyTZRFSOGPVRLHSS-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.98
Rot. Bonds4

About N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 86800649) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID86800649
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCC(CN3CCCCC3)C2)cc1
InChIInChI=1S/C19H28N4O2/c1-15(24)20-17-5-7-18(8-6-17)21-19(25)23-12-9-16(14-23)13-22-10-3-2-4-11-22/h5-8,16H,2-4,9-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyTZRFSOGPVRLHSS-UHFFFAOYSA-N
XLogP2.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136534290
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
(3R)-N-(1-methylindol-6-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99820655
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478
4-(azepan-1-ylmethyl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-1-carboxamide
CID 56518428
(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99836083
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146129975
N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 86800649) is N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)N2CCC(CN3CCCCC3)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is TZRFSOGPVRLHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(24)20-17-5-7-18(8-6-17)21-19(25)23-12-9-16(14-23)13-22-10-3-2-4-11-22/h5-8,16H,2-4,9-14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86800649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).