1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea

C18H27N3O4 — CID 95312775

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCCOCCO)cc1
InChIInChI=1S/C18H27N3O4/c1-14-4-2-3-10-21(14)17(23)15-5-7-16(8-6-15)20-18(24)19-9-12-25-13-11-22/h5-8,14,22H,2-4,9-13H2,1H3,(H2,19,20,24)/t14-/m1/s1
InChIKeyZMNBKQPAVQKJLE-CQSZACIVSA-N
MW349.43 g/mol
LogP1.83
Rot. Bonds7

About 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea

1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea (PubChem CID 95312775) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea
PubChem CID95312775
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCCOCCO)cc1
InChIInChI=1S/C18H27N3O4/c1-14-4-2-3-10-21(14)17(23)15-5-7-16(8-6-15)20-18(24)19-9-12-25-13-11-22/h5-8,14,22H,2-4,9-13H2,1H3,(H2,19,20,24)/t14-/m1/s1
InChIKeyZMNBKQPAVQKJLE-CQSZACIVSA-N
XLogP1.83
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea
CID 56684475
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
CID 99774161
[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 100706518
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea
CID 52860461
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea (CID 95312775) is 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea is C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCCOCCO)cc1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea?
The InChIKey is ZMNBKQPAVQKJLE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14-4-2-3-10-21(14)17(23)15-5-7-16(8-6-15)20-18(24)19-9-12-25-13-11-22/h5-8,14,22H,2-4,9-13H2,1H3,(H2,19,20,24)/t14-/m1/s1.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea has a molecular weight of 349.43 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 95312775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).