1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea

C19H30N4O3 — CID 55746318

IUPAC1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ncccc1CNC(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-13(2)18(24)23-10-7-16(8-11-23)22-19(25)21-12-15-6-5-9-20-17(15)26-14(3)4/h5-6,9,13-14,16H,7-8,10-12H2,1-4H3,(H2,21,22,25)
InChIKeyBXWIRVDEZSDDBR-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.32
Rot. Bonds6

About 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea

1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 55746318) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
PubChem CID55746318
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ncccc1CNC(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-13(2)18(24)23-10-7-16(8-11-23)22-19(25)21-12-15-6-5-9-20-17(15)26-14(3)4/h5-6,9,13-14,16H,7-8,10-12H2,1-4H3,(H2,21,22,25)
InChIKeyBXWIRVDEZSDDBR-UHFFFAOYSA-N
XLogP2.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
ethyl 4-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 55741558
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 48957306
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 94179025
1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea
CID 133468525
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 55746318) is 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea is CC(C)Oc1ncccc1CNC(=O)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The InChIKey is BXWIRVDEZSDDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13(2)18(24)23-10-7-16(8-11-23)22-19(25)21-12-15-6-5-9-20-17(15)26-14(3)4/h5-6,9,13-14,16H,7-8,10-12H2,1-4H3,(H2,21,22,25).
What are the key properties of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 362.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55746318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).