1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide

C20H32N4O4S — CID 47047056

IUPAC1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H32N4O4S/c1-2-3-14-29(26,27)24-8-5-18(6-9-24)20(25)22-16-17-4-7-21-19(15-17)23-10-12-28-13-11-23/h4,7,15,18H,2-3,5-6,8-14,16H2,1H3,(H,22,25)
InChIKeyLIDAUGDDPUSXDR-UHFFFAOYSA-N
MW424.57 g/mol
LogP1.38
Rot. Bonds8

About 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 47047056) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID47047056
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H32N4O4S/c1-2-3-14-29(26,27)24-8-5-18(6-9-24)20(25)22-16-17-4-7-21-19(15-17)23-10-12-28-13-11-23/h4,7,15,18H,2-3,5-6,8-14,16H2,1H3,(H,22,25)
InChIKeyLIDAUGDDPUSXDR-UHFFFAOYSA-N
XLogP1.38
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 6472190
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 55794635
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 113005041
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55745815
(3R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 36885410
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 55764759
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168568
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide (CID 47047056) is 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is LIDAUGDDPUSXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-2-3-14-29(26,27)24-8-5-18(6-9-24)20(25)22-16-17-4-7-21-19(15-17)23-10-12-28-13-11-23/h4,7,15,18H,2-3,5-6,8-14,16H2,1H3,(H,22,25).
What are the key properties of 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47047056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).