(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide

C18H29N5O3 — CID 70864988

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCNCC2)no1
InChIInChI=1S/C18H29N5O3/c1-18(2,3)14-12-15(21-26-14)20-16(24)13-6-4-5-9-23(13)17(25)22-10-7-19-8-11-22/h12-13,19H,4-11H2,1-3H3,(H,20,21,24)/t13-/m0/s1
InChIKeyMZPVYFZXFLUMOS-ZDUSSCGKSA-N
MW363.46 g/mol
LogP1.79
Rot. Bonds2

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide (PubChem CID 70864988) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
PubChem CID70864988
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCNCC2)no1
InChIInChI=1S/C18H29N5O3/c1-18(2,3)14-12-15(21-26-14)20-16(24)13-6-4-5-9-23(13)17(25)22-10-7-19-8-11-22/h12-13,19H,4-11H2,1-3H3,(H,20,21,24)/t13-/m0/s1
InChIKeyMZPVYFZXFLUMOS-ZDUSSCGKSA-N
XLogP1.79
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 75239154
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
1-[(1E,3E)-1-amino-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 89044422
(2S)-1-[(1E,3E)-1-amino-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 89044282
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide
CID 90773012
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone
CID 58564058
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxamide
CID 67953320
(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 99639521
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide (CID 70864988) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCNCC2)no1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide?
The InChIKey is MZPVYFZXFLUMOS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-18(2,3)14-12-15(21-26-14)20-16(24)13-6-4-5-9-23(13)17(25)22-10-7-19-8-11-22/h12-13,19H,4-11H2,1-3H3,(H,20,21,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 70864988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).