1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea

C20H33N5O — CID 71378137

IUPAC1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea
SMILESCN(C)C(=O)NCCN1CCC(C2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C20H33N5O/c1-23(2)20(26)22-11-16-24-12-6-17(7-13-24)18-8-14-25(15-9-18)19-5-3-4-10-21-19/h3-5,10,17-18H,6-9,11-16H2,1-2H3,(H,22,26)
InChIKeyAQUQBUDAPCJXGR-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.28
Rot. Bonds5

About 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea

1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea (PubChem CID 71378137) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea
PubChem CID71378137
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea
SMILESCN(C)C(=O)NCCN1CCC(C2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C20H33N5O/c1-23(2)20(26)22-11-16-24-12-6-17(7-13-24)18-8-14-25(15-9-18)19-5-3-4-10-21-19/h3-5,10,17-18H,6-9,11-16H2,1-2H3,(H,22,26)
InChIKeyAQUQBUDAPCJXGR-UHFFFAOYSA-N
XLogP2.28
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 6259677
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CID 166181043
N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 62573579
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091378
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221006
N,N-dimethyl-2-[[propylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]acetamide
CID 110037519
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea (CID 71378137) is 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea is CN(C)C(=O)NCCN1CCC(C2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea?
The InChIKey is AQUQBUDAPCJXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-23(2)20(26)22-11-16-24-12-6-17(7-13-24)18-8-14-25(15-9-18)19-5-3-4-10-21-19/h3-5,10,17-18H,6-9,11-16H2,1-2H3,(H,22,26).
What are the key properties of 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea?
1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea has a molecular weight of 359.52 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[4-(1-pyridin-2-ylpiperidin-4-yl)piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 71378137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).