1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea

C19H27F3N4O — CID 87003728

IUPAC1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
SMILESCCCN(CC1CC1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H27F3N4O/c1-2-9-26(13-14-3-4-14)18(27)24-16-7-10-25(11-8-16)17-6-5-15(12-23-17)19(20,21)22/h5-6,12,14,16H,2-4,7-11,13H2,1H3,(H,24,27)
InChIKeyDGVGPGILSWSGRN-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.90
Rot. Bonds6

About 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea

1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea (PubChem CID 87003728) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
PubChem CID87003728
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC Name1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
SMILESCCCN(CC1CC1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H27F3N4O/c1-2-9-26(13-14-3-4-14)18(27)24-16-7-10-25(11-8-16)17-6-5-15(12-23-17)19(20,21)22/h5-6,12,14,16H,2-4,7-11,13H2,1H3,(H,24,27)
InChIKeyDGVGPGILSWSGRN-UHFFFAOYSA-N
XLogP3.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(thiophen-2-ylmethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 52652497
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119843831
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
CID 171702378
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea (CID 87003728) is 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea is CCCN(CC1CC1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The InChIKey is DGVGPGILSWSGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-2-9-26(13-14-3-4-14)18(27)24-16-7-10-25(11-8-16)17-6-5-15(12-23-17)19(20,21)22/h5-6,12,14,16H,2-4,7-11,13H2,1H3,(H,24,27).
What are the key properties of 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea has a molecular weight of 384.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea is sourced from PubChem (CID 87003728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).