(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide

C17H29N5O4S — CID 97344342

IUPAC(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C17H29N5O4S/c1-17(2,3)22-12-14(11-18-22)19-16(23)20-6-4-5-15(13-20)27(24,25)21-7-9-26-10-8-21/h11-12,15H,4-10,13H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyWEPYLGYFYSXOIN-OAHLLOKOSA-N
MW399.52 g/mol
LogP1.30
Rot. Bonds3

About (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide

(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide (PubChem CID 97344342) has the molecular formula C17H29N5O4S and a molecular weight of 399.52 g/mol. Its IUPAC name is (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
PubChem CID97344342
Molecular FormulaC17H29N5O4S
Molecular Weight399.52 g/mol
Exact Mass399.19
IUPAC Name(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C17H29N5O4S/c1-17(2,3)22-12-14(11-18-22)19-16(23)20-6-4-5-15(13-20)27(24,25)21-7-9-26-10-8-21/h11-12,15H,4-10,13H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyWEPYLGYFYSXOIN-OAHLLOKOSA-N
XLogP1.30
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
CID 97344454
(3S)-3-morpholin-4-ylsulfonyl-N-phenylpiperidine-1-carboxamide
CID 97343329
N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75476594
(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide
CID 129400309
[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 97343487
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124890276
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
CID 97343511
N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 138042294
4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473926
[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 84592565

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide (CID 97344342) is (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide is CC(C)(C)n1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide?
The InChIKey is WEPYLGYFYSXOIN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N5O4S/c1-17(2,3)22-12-14(11-18-22)19-16(23)20-6-4-5-15(13-20)27(24,25)21-7-9-26-10-8-21/h11-12,15H,4-10,13H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide?
(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 97344342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).