1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea

C18H23N3O — CID 22719668

IUPAC1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)NCC1CCNCC1
InChIInChI=1S/C18H23N3O/c22-18(20-12-14-8-10-19-11-9-14)21-13-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,14,19H,8-13H2,(H2,20,21,22)
InChIKeySBAIHYUEGKITBT-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.64
Rot. Bonds4

About 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea

1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea (PubChem CID 22719668) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
PubChem CID22719668
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)NCC1CCNCC1
InChIInChI=1S/C18H23N3O/c22-18(20-12-14-8-10-19-11-9-14)21-13-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,14,19H,8-13H2,(H2,20,21,22)
InChIKeySBAIHYUEGKITBT-UHFFFAOYSA-N
XLogP2.64
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine
CID 115211649
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(naphthalen-1-ylmethyl)urea
CID 110911378
2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide
CID 166237669
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
CID 166237713
1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
CID 56739137
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
1-(pyrrolidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235427

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea (CID 22719668) is 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea is O=C(NCc1cccc2ccccc12)NCC1CCNCC1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea?
The InChIKey is SBAIHYUEGKITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(20-12-14-8-10-19-11-9-14)21-13-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,14,19H,8-13H2,(H2,20,21,22).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea?
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea has a molecular weight of 297.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 22719668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).