1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide

C20H26N4O2 — CID 154797334

IUPAC1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESCC(NCc1ccc(N2CCCC(C(N)=O)C2)cc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C20H26N4O2/c1-14(16-8-9-22-19(25)11-16)23-12-15-4-6-18(7-5-15)24-10-2-3-17(13-24)20(21)26/h4-9,11,14,17,23H,2-3,10,12-13H2,1H3,(H2,21,26)(H,22,25)
InChIKeyGOZQJXIEQURHCI-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.93
Rot. Bonds6

About 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide

1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 154797334) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide
PubChem CID154797334
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESCC(NCc1ccc(N2CCCC(C(N)=O)C2)cc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C20H26N4O2/c1-14(16-8-9-22-19(25)11-16)23-12-15-4-6-18(7-5-15)24-10-2-3-17(13-24)20(21)26/h4-9,11,14,17,23H,2-3,10,12-13H2,1H3,(H2,21,26)(H,22,25)
InChIKeyGOZQJXIEQURHCI-UHFFFAOYSA-N
XLogP1.93
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide
CID 43283894
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 51120625
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 170858740
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide (CID 154797334) is 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide is CC(NCc1ccc(N2CCCC(C(N)=O)C2)cc1)c1cc[nH]c(=O)c1.
What is the InChIKey of 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is GOZQJXIEQURHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(16-8-9-22-19(25)11-16)23-12-15-4-6-18(7-5-15)24-10-2-3-17(13-24)20(21)26/h4-9,11,14,17,23H,2-3,10,12-13H2,1H3,(H2,21,26)(H,22,25).
What are the key properties of 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide?
1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(2-oxo-1H-pyridin-4-yl)ethylamino]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 154797334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).