1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea

C19H30N4O2 — CID 94030781

IUPAC1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESCCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H30N4O2/c1-2-22(14-17-8-11-25-15-17)19(24)21-13-16-6-7-18(20-12-16)23-9-4-3-5-10-23/h6-7,12,17H,2-5,8-11,13-15H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyOQOFHTVLCPKZOI-KRWDZBQOSA-N
MW346.48 g/mol
LogP2.64
Rot. Bonds6

About 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea

1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 94030781) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID94030781
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESCCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H30N4O2/c1-2-22(14-17-8-11-25-15-17)19(24)21-13-16-6-7-18(20-12-16)23-9-4-3-5-10-23/h6-7,12,17H,2-5,8-11,13-15H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyOQOFHTVLCPKZOI-KRWDZBQOSA-N
XLogP2.64
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 94176691
1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94172517
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94118146
1-ethyl-1-(2-hydroxyethyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 110896030
1-ethyl-1-(furan-2-ylmethyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 38285701
3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea
CID 128786544
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 53498159
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-[(4-ethoxyphenyl)methyl]-1-methylurea
CID 55794420

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea (CID 94030781) is 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea is CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is OQOFHTVLCPKZOI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-22(14-17-8-11-25-15-17)19(24)21-13-16-6-7-18(20-12-16)23-9-4-3-5-10-23/h6-7,12,17H,2-5,8-11,13-15H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 94030781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).