1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea

C20H25N3O3 — CID 166315592

IUPAC1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)c2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O3/c1-13(2)21-20(26)22-15-9-11-23(12-10-15)19(25)18-16-6-4-3-5-14(16)7-8-17(18)24/h3-8,13,15,24H,9-12H2,1-2H3,(H2,21,22,26)
InChIKeyNUUUMEBQHIEOJV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.86
Rot. Bonds3

About 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea

1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 166315592) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
PubChem CID166315592
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)c2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O3/c1-13(2)21-20(26)22-15-9-11-23(12-10-15)19(25)18-16-6-4-3-5-14(16)7-8-17(18)24/h3-8,13,15,24H,9-12H2,1-2H3,(H2,21,22,26)
InChIKeyNUUUMEBQHIEOJV-UHFFFAOYSA-N
XLogP2.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95772650
1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110820909
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 53016500
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
(1-methoxynaphthalen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382736
2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70750133
2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108564395

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea (CID 166315592) is 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN(C(=O)c2c(O)ccc3ccccc23)CC1.
What is the InChIKey of 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is NUUUMEBQHIEOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)21-20(26)22-15-9-11-23(12-10-15)19(25)18-16-6-4-3-5-14(16)7-8-17(18)24/h3-8,13,15,24H,9-12H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea?
1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 355.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 166315592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).