1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea

C19H29N5O3 — CID 74248365

IUPAC1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea
SMILESCN1CCN(C(=O)c2cccc(NC(=O)NCC3(O)CCCNC3)c2)CC1
InChIInChI=1S/C19H29N5O3/c1-23-8-10-24(11-9-23)17(25)15-4-2-5-16(12-15)22-18(26)21-14-19(27)6-3-7-20-13-19/h2,4-5,12,20,27H,3,6-11,13-14H2,1H3,(H2,21,22,26)
InChIKeyWKCPAEUKVLWLFK-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.31
Rot. Bonds4

About 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea

1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea (PubChem CID 74248365) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea
PubChem CID74248365
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea
SMILESCN1CCN(C(=O)c2cccc(NC(=O)NCC3(O)CCCNC3)c2)CC1
InChIInChI=1S/C19H29N5O3/c1-23-8-10-24(11-9-23)17(25)15-4-2-5-16(12-15)22-18(26)21-14-19(27)6-3-7-20-13-19/h2,4-5,12,20,27H,3,6-11,13-14H2,1H3,(H2,21,22,26)
InChIKeyWKCPAEUKVLWLFK-UHFFFAOYSA-N
XLogP0.31
TPSA96.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea
CID 118788784
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
1-[3-(4-methylpiperazine-1-carbonyl)phenyl]-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
CID 97443912
2-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 45265924
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077035
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
4-[3-(4-methylpiperazine-1-carbonyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 162348635
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea (CID 74248365) is 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea is CN1CCN(C(=O)c2cccc(NC(=O)NCC3(O)CCCNC3)c2)CC1.
What is the InChIKey of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The InChIKey is WKCPAEUKVLWLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-23-8-10-24(11-9-23)17(25)15-4-2-5-16(12-15)22-18(26)21-14-19(27)6-3-7-20-13-19/h2,4-5,12,20,27H,3,6-11,13-14H2,1H3,(H2,21,22,26).
What are the key properties of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea?
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea has a molecular weight of 375.47 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 74248365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).