(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

C22H34N4O2 — CID 95402897

IUPAC(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCNC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H34N4O2/c1-23-21(27)16-24-22(28)19-8-5-12-26(17-19)20-10-14-25(15-11-20)13-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyGQNJXNIOMOSNHE-LJQANCHMSA-N
MW386.54 g/mol
LogP1.27
Rot. Bonds7

About (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95402897) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95402897
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCNC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H34N4O2/c1-23-21(27)16-24-22(28)19-8-5-12-26(17-19)20-10-14-25(15-11-20)13-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyGQNJXNIOMOSNHE-LJQANCHMSA-N
XLogP1.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56876392
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851
(3R)-N-(4-aminocyclohexyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 98260152
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96578234
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
N-cyclopropyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45232924

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95402897) is (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is CNC(=O)CNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is GQNJXNIOMOSNHE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-23-21(27)16-24-22(28)19-8-5-12-26(17-19)20-10-14-25(15-11-20)13-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95402897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).