(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide

C22H29N3O3 — CID 97316982

IUPAC(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCCOC[C@@H]1CCCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1
InChIInChI=1S/C22H29N3O3/c1-2-28-17-20-6-5-13-25(16-20)22(27)23-14-18-8-10-19(11-9-18)15-24-12-4-3-7-21(24)26/h3-4,7-12,20H,2,5-6,13-17H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyBZVNBDLVSWHOQL-HXUWFJFHSA-N
MW383.49 g/mol
LogP2.85
Rot. Bonds7

About (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide

(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 97316982) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID97316982
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCCOC[C@@H]1CCCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1
InChIInChI=1S/C22H29N3O3/c1-2-28-17-20-6-5-13-25(16-20)22(27)23-14-18-8-10-19(11-9-18)15-24-12-4-3-7-21(24)26/h3-4,7-12,20H,2,5-6,13-17H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyBZVNBDLVSWHOQL-HXUWFJFHSA-N
XLogP2.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 60577667
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60577602
(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
CID 95626437
3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
CID 56790214
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119303149
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide (CID 97316982) is (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide is CCOC[C@@H]1CCCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1.
What is the InChIKey of (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is BZVNBDLVSWHOQL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-28-17-20-6-5-13-25(16-20)22(27)23-14-18-8-10-19(11-9-18)15-24-12-4-3-7-21(24)26/h3-4,7-12,20H,2,5-6,13-17H2,1H3,(H,23,27)/t20-/m1/s1.
What are the key properties of (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide?
(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97316982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).