N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

C21H36N4O4S — CID 52720503

IUPACN-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1
InChIInChI=1S/C21H36N4O4S/c1-15-7-6-10-21(13-15,24(4)5)14-22-20(26)18-8-11-25(12-9-18)30(27,28)19-16(2)23-29-17(19)3/h15,18H,6-14H2,1-5H3,(H,22,26)/t15-,21-/m1/s1
InChIKeyOWWCMSVLVRVHHS-QVKFZJNVSA-N
MW440.61 g/mol
LogP2.32
Rot. Bonds6

About N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 52720503) has the molecular formula C21H36N4O4S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID52720503
Molecular FormulaC21H36N4O4S
Molecular Weight440.61 g/mol
Exact Mass440.25
IUPAC NameN-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1
InChIInChI=1S/C21H36N4O4S/c1-15-7-6-10-21(13-15,24(4)5)14-22-20(26)18-8-11-25(12-9-18)30(27,28)19-16(2)23-29-17(19)3/h15,18H,6-14H2,1-5H3,(H,22,26)/t15-,21-/m1/s1
InChIKeyOWWCMSVLVRVHHS-QVKFZJNVSA-N
XLogP2.32
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 167894608
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
N-[(3,5-difluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 55596929
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 3241123
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 55637034
cis-(1R,3S)-3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678996
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47017929
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide
CID 120577777
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55451540
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 17481326
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 24658952

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 52720503) is N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1.
What is the InChIKey of N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is OWWCMSVLVRVHHS-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H36N4O4S/c1-15-7-6-10-21(13-15,24(4)5)14-22-20(26)18-8-11-25(12-9-18)30(27,28)19-16(2)23-29-17(19)3/h15,18H,6-14H2,1-5H3,(H,22,26)/t15-,21-/m1/s1.
What are the key properties of N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 52720503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).