1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea

C21H34N4O2 — CID 125159394

IUPAC1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea
SMILESO=C(NCCN1CCC[C@@H](CO)C1)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C21H34N4O2/c26-17-19-7-5-12-25(16-19)13-9-22-21(27)23-20-8-4-6-18(14-20)15-24-10-2-1-3-11-24/h4,6,8,14,19,26H,1-3,5,7,9-13,15-17H2,(H2,22,23,27)/t19-/m1/s1
InChIKeyNSBBHROQQJHTHJ-LJQANCHMSA-N
MW374.53 g/mol
LogP2.50
Rot. Bonds7

About 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea

1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea (PubChem CID 125159394) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea
PubChem CID125159394
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea
SMILESO=C(NCCN1CCC[C@@H](CO)C1)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C21H34N4O2/c26-17-19-7-5-12-25(16-19)13-9-22-21(27)23-20-8-4-6-18(14-20)15-24-10-2-1-3-11-24/h4,6,8,14,19,26H,1-3,5,7,9-13,15-17H2,(H2,22,23,27)/t19-/m1/s1
InChIKeyNSBBHROQQJHTHJ-LJQANCHMSA-N
XLogP2.50
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-chlorophenyl)phenyl]-3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 97443460
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
1-(2,3-difluorophenyl)-3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118761885
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
N-[4-fluoro-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]propanamide
CID 97438260
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 55696768
1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
CID 22393346
1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
CID 70135068

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea (CID 125159394) is 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea is O=C(NCCN1CCC[C@@H](CO)C1)Nc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea?
The InChIKey is NSBBHROQQJHTHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H34N4O2/c26-17-19-7-5-12-25(16-19)13-9-22-21(27)23-20-8-4-6-18(14-20)15-24-10-2-1-3-11-24/h4,6,8,14,19,26H,1-3,5,7,9-13,15-17H2,(H2,22,23,27)/t19-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea?
1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea has a molecular weight of 374.53 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 125159394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).