1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea

C15H29N3O — CID 42383897

IUPAC1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
SMILESCCNC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-2-16-15(19)17-13-8-7-11-18(12-13)14-9-5-3-4-6-10-14/h13-14H,2-12H2,1H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyYETBMBOTYQAVDN-CYBMUJFWSA-N
MW267.42 g/mol
LogP2.49
Rot. Bonds3

About 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea

1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea (PubChem CID 42383897) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
PubChem CID42383897
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
SMILESCCNC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-2-16-15(19)17-13-8-7-11-18(12-13)14-9-5-3-4-6-10-14/h13-14H,2-12H2,1H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyYETBMBOTYQAVDN-CYBMUJFWSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111817
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111438962
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
N-cyclohexyl-2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111919002

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea?
The IUPAC name of 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea (CID 42383897) is 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea?
The canonical SMILES for 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea is CCNC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea?
The InChIKey is YETBMBOTYQAVDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-16-15(19)17-13-8-7-11-18(12-13)14-9-5-3-4-6-10-14/h13-14H,2-12H2,1H3,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea?
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea has a molecular weight of 267.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea is sourced from PubChem (CID 42383897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).