N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C19H26N4O3 — CID 55719111

IUPACN-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C19H26N4O3/c20-17(24)16-5-3-4-14(12-16)13-21-18(25)15-6-10-23(11-7-15)19(26)22-8-1-2-9-22/h3-5,12,15H,1-2,6-11,13H2,(H2,20,24)(H,21,25)
InChIKeyCIMXAAKVLZYEFQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.33
Rot. Bonds4

About N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55719111) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55719111
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C19H26N4O3/c20-17(24)16-5-3-4-14(12-16)13-21-18(25)15-6-10-23(11-7-15)19(26)22-8-1-2-9-22/h3-5,12,15H,1-2,6-11,13H2,(H2,20,24)(H,21,25)
InChIKeyCIMXAAKVLZYEFQ-UHFFFAOYSA-N
XLogP1.33
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55760283
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
N-[(3-carbamoylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 32636358
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76932795
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
3-[(carbamoylamino)methyl]benzamide
CID 166184789
4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 55722351

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55719111) is N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is NC(=O)c1cccc(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is CIMXAAKVLZYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c20-17(24)16-5-3-4-14(12-16)13-21-18(25)15-6-10-23(11-7-15)19(26)22-8-1-2-9-22/h3-5,12,15H,1-2,6-11,13H2,(H2,20,24)(H,21,25).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55719111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).