N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C18H29N5O4S — CID 118947307

IUPACN-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CCN1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C18H29N5O4S/c1-12-10-15(20-18(24)16-11-17(27-21-16)13-2-3-13)6-9-23(12)28(25,26)22-7-4-14(19)5-8-22/h11-15H,2-10,19H2,1H3,(H,20,24)/t12-,15-/m0/s1
InChIKeyYVHFAGSKXDFQBF-WFASDCNBSA-N
MW411.53 g/mol
LogP0.80
Rot. Bonds5

About N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 118947307) has the molecular formula C18H29N5O4S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID118947307
Molecular FormulaC18H29N5O4S
Molecular Weight411.53 g/mol
Exact Mass411.19
IUPAC NameN-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CCN1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C18H29N5O4S/c1-12-10-15(20-18(24)16-11-17(27-21-16)13-2-3-13)6-9-23(12)28(25,26)22-7-4-14(19)5-8-22/h11-15H,2-10,19H2,1H3,(H,20,24)/t12-,15-/m0/s1
InChIKeyYVHFAGSKXDFQBF-WFASDCNBSA-N
XLogP0.80
TPSA121.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 118947307) is N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)on2)CCN1S(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is YVHFAGSKXDFQBF-WFASDCNBSA-N. The full InChI is InChI=1S/C18H29N5O4S/c1-12-10-15(20-18(24)16-11-17(27-21-16)13-2-3-13)6-9-23(12)28(25,26)22-7-4-14(19)5-8-22/h11-15H,2-10,19H2,1H3,(H,20,24)/t12-,15-/m0/s1.
What are the key properties of N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-1-(4-aminopiperidin-1-yl)sulfonyl-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118947307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).