1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea

C17H26N4O2 — CID 100678446

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(c2cccnc2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C17H26N4O2/c22-17(20-13-16-4-2-10-23-16)19-11-14-5-8-21(9-6-14)15-3-1-7-18-12-15/h1,3,7,12,14,16H,2,4-6,8-11,13H2,(H2,19,20,22)/t16-/m1/s1
InChIKeyIZJXDNMAPGISLZ-MRXNPFEDSA-N
MW318.42 g/mol
LogP1.78
Rot. Bonds5

About 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea

1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea (PubChem CID 100678446) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
PubChem CID100678446
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(c2cccnc2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C17H26N4O2/c22-17(20-13-16-4-2-10-23-16)19-11-14-5-8-21(9-6-14)15-3-1-7-18-12-15/h1,3,7,12,14,16H,2,4-6,8-11,13H2,(H2,19,20,22)/t16-/m1/s1
InChIKeyIZJXDNMAPGISLZ-MRXNPFEDSA-N
XLogP1.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea with MolForge

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Related Compounds

1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
CID 91812788
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 100676870
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624876
N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
CID 125145459
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881
(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 100712572
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea (CID 100678446) is 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea is O=C(NCC1CCN(c2cccnc2)CC1)NC[C@H]1CCCO1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The InChIKey is IZJXDNMAPGISLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(20-13-16-4-2-10-23-16)19-11-14-5-8-21(9-6-14)15-3-1-7-18-12-15/h1,3,7,12,14,16H,2,4-6,8-11,13H2,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 100678446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).