1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

C19H32N4O2 — CID 97086567

IUPAC1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCOC(C)(C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H32N4O2/c1-15(13-19(2,3)25-4)21-18(24)22-16-8-11-23(12-9-16)14-17-7-5-6-10-20-17/h5-7,10,15-16H,8-9,11-14H2,1-4H3,(H2,21,22,24)/t15-/m0/s1
InChIKeyMBDJTMWYXYEUHX-HNNXBMFYSA-N
MW348.49 g/mol
LogP2.55
Rot. Bonds7

About 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 97086567) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
PubChem CID97086567
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCOC(C)(C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H32N4O2/c1-15(13-19(2,3)25-4)21-18(24)22-16-8-11-23(12-9-16)14-17-7-5-6-10-20-17/h5-7,10,15-16H,8-9,11-14H2,1-4H3,(H2,21,22,24)/t15-/m0/s1
InChIKeyMBDJTMWYXYEUHX-HNNXBMFYSA-N
XLogP2.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111479509
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 124619687
N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362567
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858736
1-(3-bromo-4-methylphenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 78889744
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (CID 97086567) is 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is COC(C)(C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is MBDJTMWYXYEUHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15(13-19(2,3)25-4)21-18(24)22-16-8-11-23(12-9-16)14-17-7-5-6-10-20-17/h5-7,10,15-16H,8-9,11-14H2,1-4H3,(H2,21,22,24)/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 348.49 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 97086567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).