N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide

C15H30N4O3S — CID 94099206

IUPACN-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESC[C@H]1CCCN([C@@H](C)CNC(=O)N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H30N4O3S/c1-13-5-4-6-18(12-13)14(2)11-16-15(20)17-7-9-19(10-8-17)23(3,21)22/h13-14H,4-12H2,1-3H3,(H,16,20)/t13-,14-/m0/s1
InChIKeyDLDMFUSBVOURSC-KBPBESRZSA-N
MW346.50 g/mol
LogP0.39
Rot. Bonds4

About N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide

N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 94099206) has the molecular formula C15H30N4O3S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID94099206
Molecular FormulaC15H30N4O3S
Molecular Weight346.50 g/mol
Exact Mass346.20
IUPAC NameN-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESC[C@H]1CCCN([C@@H](C)CNC(=O)N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H30N4O3S/c1-13-5-4-6-18(12-13)14(2)11-16-15(20)17-7-9-19(10-8-17)23(3,21)22/h13-14H,4-12H2,1-3H3,(H,16,20)/t13-,14-/m0/s1
InChIKeyDLDMFUSBVOURSC-KBPBESRZSA-N
XLogP0.39
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 98752850
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47036190
5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122171
(2S)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 94026257
4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 122144140
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
3-methyl-4-[(4-methylsulfonylpiperazine-1-carbonyl)amino]butanoic acid
CID 81069892
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 49124030
ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate
CID 87005476
(2R)-N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]oxolane-2-carboxamide
CID 100839126
4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide
CID 60597940
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide (CID 94099206) is N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide is C[C@H]1CCCN([C@@H](C)CNC(=O)N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is DLDMFUSBVOURSC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30N4O3S/c1-13-5-4-6-18(12-13)14(2)11-16-15(20)17-7-9-19(10-8-17)23(3,21)22/h13-14H,4-12H2,1-3H3,(H,16,20)/t13-,14-/m0/s1.
What are the key properties of N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide?
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 94099206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).