1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea

C17H29N3O4 — CID 56547814

IUPAC1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCCC(C2OCCO2)C1)NCC1CCCC1
InChIInChI=1S/C17H29N3O4/c21-15(11-19-17(22)18-10-13-4-1-2-5-13)20-7-3-6-14(12-20)16-23-8-9-24-16/h13-14,16H,1-12H2,(H2,18,19,22)
InChIKeyZFXAISBOPDECLE-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.09
Rot. Bonds5

About 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea

1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 56547814) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID56547814
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCCC(C2OCCO2)C1)NCC1CCCC1
InChIInChI=1S/C17H29N3O4/c21-15(11-19-17(22)18-10-13-4-1-2-5-13)20-7-3-6-14(12-20)16-23-8-9-24-16/h13-14,16H,1-12H2,(H2,18,19,22)
InChIKeyZFXAISBOPDECLE-UHFFFAOYSA-N
XLogP1.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795
(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide
CID 95270427
3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
CID 56553598
3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide
CID 56505796
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-butylurea
CID 66794702
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 119700516
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
N-[2-[3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 164604576
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-butan-2-ylurea
CID 66794701

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea (CID 56547814) is 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea is O=C(NCC(=O)N1CCCC(C2OCCO2)C1)NCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is ZFXAISBOPDECLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c21-15(11-19-17(22)18-10-13-4-1-2-5-13)20-7-3-6-14(12-20)16-23-8-9-24-16/h13-14,16H,1-12H2,(H2,18,19,22).
What are the key properties of 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea?
1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 339.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 56547814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).