1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

C19H32N4O2 — CID 111479509

IUPAC1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCC(O)CC(C)(C)CNC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H32N4O2/c1-15(24)12-19(2,3)14-21-18(25)22-16-7-10-23(11-8-16)13-17-6-4-5-9-20-17/h4-6,9,15-16,24H,7-8,10-14H2,1-3H3,(H2,21,22,25)
InChIKeyBYBVHAKCHAXYMR-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.14
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 111479509) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
PubChem CID111479509
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCC(O)CC(C)(C)CNC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H32N4O2/c1-15(24)12-19(2,3)14-21-18(25)22-16-7-10-23(11-8-16)13-17-6-4-5-9-20-17/h4-6,9,15-16,24H,7-8,10-14H2,1-3H3,(H2,21,22,25)
InChIKeyBYBVHAKCHAXYMR-UHFFFAOYSA-N
XLogP2.14
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
1-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 97086567
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[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
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362752
N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111990343
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 55769009
1-(3-bromo-4-methylphenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 78889744
4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858736
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (CID 111479509) is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is CC(O)CC(C)(C)CNC(=O)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is BYBVHAKCHAXYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15(24)12-19(2,3)14-21-18(25)22-16-7-10-23(11-8-16)13-17-6-4-5-9-20-17/h4-6,9,15-16,24H,7-8,10-14H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 348.49 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 111479509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).