4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide

C19H28N4O4 — CID 41296153

IUPAC4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(O)CC2)cc1NC(=O)N1CCC(O)CC1
InChIInChI=1S/C19H28N4O4/c1-13-2-3-14(20-18(26)22-8-4-15(24)5-9-22)12-17(13)21-19(27)23-10-6-16(25)7-11-23/h2-3,12,15-16,24-25H,4-11H2,1H3,(H,20,26)(H,21,27)
InChIKeyBOTGJHXESJLCTG-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.97
Rot. Bonds2

About 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide

4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide (PubChem CID 41296153) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
PubChem CID41296153
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(O)CC2)cc1NC(=O)N1CCC(O)CC1
InChIInChI=1S/C19H28N4O4/c1-13-2-3-14(20-18(26)22-8-4-15(24)5-9-22)12-17(13)21-19(27)23-10-6-16(25)7-11-23/h2-3,12,15-16,24-25H,4-11H2,1H3,(H,20,26)(H,21,27)
InChIKeyBOTGJHXESJLCTG-UHFFFAOYSA-N
XLogP1.97
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118785738
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 74242754
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94183755

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide (CID 41296153) is 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(O)CC2)cc1NC(=O)N1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide?
The InChIKey is BOTGJHXESJLCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13-2-3-14(20-18(26)22-8-4-15(24)5-9-22)12-17(13)21-19(27)23-10-6-16(25)7-11-23/h2-3,12,15-16,24-25H,4-11H2,1H3,(H,20,26)(H,21,27).
What are the key properties of 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide?
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.97, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide is sourced from PubChem (CID 41296153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).