(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide

C13H22N4O2 — CID 94798808

IUPAC(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@H](NC(C)C)C2)no1
InChIInChI=1S/C13H22N4O2/c1-9(2)14-11-5-4-6-17(8-11)13(18)15-12-7-10(3)19-16-12/h7,9,11,14H,4-6,8H2,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyKAXQEBBHKCJQMN-NSHDSACASA-N
MW266.34 g/mol
LogP1.98
Rot. Bonds3

About (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide

(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide (PubChem CID 94798808) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide
PubChem CID94798808
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@H](NC(C)C)C2)no1
InChIInChI=1S/C13H22N4O2/c1-9(2)14-11-5-4-6-17(8-11)13(18)15-12-7-10(3)19-16-12/h7,9,11,14H,4-6,8H2,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyKAXQEBBHKCJQMN-NSHDSACASA-N
XLogP1.98
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
(2S)-2-[[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95308444
(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95308445
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647
ethyl N-[(3S)-1-[2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]piperidin-3-yl]carbamate
CID 51951715
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47092633
4-[(R)-hydroxy(phenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 30598601
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
CID 67330926
1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 66569291

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide (CID 94798808) is (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC[C@H](NC(C)C)C2)no1.
What is the InChIKey of (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide?
The InChIKey is KAXQEBBHKCJQMN-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)14-11-5-4-6-17(8-11)13(18)15-12-7-10(3)19-16-12/h7,9,11,14H,4-6,8H2,1-3H3,(H,15,16,18)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide?
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide is sourced from PubChem (CID 94798808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).