1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea

C21H35N5O — CID 167871591

IUPAC1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea
SMILESCN(C)C1CCN(CCNC(=O)NC2CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C21H35N5O/c1-24(2)19-10-14-25(15-11-19)16-12-22-21(27)23-18-7-6-13-26(17-18)20-8-4-3-5-9-20/h3-5,8-9,18-19H,6-7,10-17H2,1-2H3,(H2,22,23,27)
InChIKeySCNYHLYPQXKBAA-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.98
Rot. Bonds6

About 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea

1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea (PubChem CID 167871591) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea
PubChem CID167871591
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea
SMILESCN(C)C1CCN(CCNC(=O)NC2CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C21H35N5O/c1-24(2)19-10-14-25(15-11-19)16-12-22-21(27)23-18-7-6-13-26(17-18)20-8-4-3-5-9-20/h3-5,8-9,18-19H,6-7,10-17H2,1-2H3,(H2,22,23,27)
InChIKeySCNYHLYPQXKBAA-UHFFFAOYSA-N
XLogP1.98
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 166181043
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
CID 136526077
(1-phenylpiperidin-3-yl)urea
CID 121416777
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268287
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
CID 111631043
2-methyl-1-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910209

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea?
The IUPAC name of 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea (CID 167871591) is 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea.
What is the SMILES notation for 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea?
The canonical SMILES for 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea is CN(C)C1CCN(CCNC(=O)NC2CCCN(c3ccccc3)C2)CC1.
What is the InChIKey of 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea?
The InChIKey is SCNYHLYPQXKBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-24(2)19-10-14-25(15-11-19)16-12-22-21(27)23-18-7-6-13-26(17-18)20-8-4-3-5-9-20/h3-5,8-9,18-19H,6-7,10-17H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea?
1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea has a molecular weight of 373.55 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea is sourced from PubChem (CID 167871591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).