1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea

C19H30N4O2 — CID 95762761

IUPAC1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCc1cccnc1N1CCCCC1
InChIInChI=1S/C19H30N4O2/c1-2-22(15-17-9-7-13-25-17)19(24)21-14-16-8-6-10-20-18(16)23-11-4-3-5-12-23/h6,8,10,17H,2-5,7,9,11-15H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyBZKDVBKKAFUIAZ-KRWDZBQOSA-N
MW346.48 g/mol
LogP2.78
Rot. Bonds6

About 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea

1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 95762761) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID95762761
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCc1cccnc1N1CCCCC1
InChIInChI=1S/C19H30N4O2/c1-2-22(15-17-9-7-13-25-17)19(24)21-14-16-8-6-10-20-18(16)23-11-4-3-5-12-23/h6,8,10,17H,2-5,7,9,11-15H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyBZKDVBKKAFUIAZ-KRWDZBQOSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]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-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 95762745
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
CID 97099557
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95598545
3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
3-[(2-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 47065691
(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 95762764
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
2-[(2R)-oxolan-2-yl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 94026509

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea (CID 95762761) is 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea is CCN(C[C@@H]1CCCO1)C(=O)NCc1cccnc1N1CCCCC1.
What is the InChIKey of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is BZKDVBKKAFUIAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-22(15-17-9-7-13-25-17)19(24)21-14-16-8-6-10-20-18(16)23-11-4-3-5-12-23/h6,8,10,17H,2-5,7,9,11-15H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea?
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 95762761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).