(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C17H25N5O3 — CID 94821180

IUPAC(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCNC(=O)NC(=O)CCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C17H25N5O3/c1-12-5-3-7-14(19-12)20-16(24)13-6-4-9-22(11-13)10-8-15(23)21-17(25)18-2/h3,5,7,13H,4,6,8-11H2,1-2H3,(H,19,20,24)(H2,18,21,23,25)/t13-/m1/s1
InChIKeyOFAGESSXNFVTJG-CYBMUJFWSA-N
MW347.42 g/mol
LogP0.89
Rot. Bonds5

About (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 94821180) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID94821180
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCNC(=O)NC(=O)CCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C17H25N5O3/c1-12-5-3-7-14(19-12)20-16(24)13-6-4-9-22(11-13)10-8-15(23)21-17(25)18-2/h3,5,7,13H,4,6,8-11H2,1-2H3,(H,19,20,24)(H2,18,21,23,25)/t13-/m1/s1
InChIKeyOFAGESSXNFVTJG-CYBMUJFWSA-N
XLogP0.89
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 51107046
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 87021590
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60522958
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
CID 43440872
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136525947
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride
CID 120898680
(3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51960930
(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94535153

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 94821180) is (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is CNC(=O)NC(=O)CCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1.
What is the InChIKey of (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is OFAGESSXNFVTJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12-5-3-7-14(19-12)20-16(24)13-6-4-9-22(11-13)10-8-15(23)21-17(25)18-2/h3,5,7,13H,4,6,8-11H2,1-2H3,(H,19,20,24)(H2,18,21,23,25)/t13-/m1/s1.
What are the key properties of (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 94821180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).