1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea

C20H26N4O3S — CID 36967089

IUPAC1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccn1
InChIInChI=1S/C20H26N4O3S/c1-16(18-10-5-6-12-21-18)23-20(25)22-15-17-9-3-4-11-19(17)28(26,27)24-13-7-2-8-14-24/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyNAIUNNCSFJKFSK-MRXNPFEDSA-N
MW402.52 g/mol
LogP2.82
Rot. Bonds6

About 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea

1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea (PubChem CID 36967089) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
PubChem CID36967089
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccn1
InChIInChI=1S/C20H26N4O3S/c1-16(18-10-5-6-12-21-18)23-20(25)22-15-17-9-3-4-11-19(17)28(26,27)24-13-7-2-8-14-24/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyNAIUNNCSFJKFSK-MRXNPFEDSA-N
XLogP2.82
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea with MolForge

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Related Compounds

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25491593
1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112829659
1-[(1S)-1-(4-methylphenyl)propyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25487466
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968025
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111123792
1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112834645
2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119700333
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea
CID 71895109
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
2-chloro-N-[(1R)-1-pyridin-2-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9362538
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 51321501

Frequently Asked Questions

What is the IUPAC name of 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea (CID 36967089) is 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea is C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccn1.
What is the InChIKey of 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea?
The InChIKey is NAIUNNCSFJKFSK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-16(18-10-5-6-12-21-18)23-20(25)22-15-17-9-3-4-11-19(17)28(26,27)24-13-7-2-8-14-24/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H2,22,23,25)/t16-/m1/s1.
What are the key properties of 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea?
1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea has a molecular weight of 402.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 36967089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).