1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C19H35N5O — CID 98756215

IUPAC1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)NCC(C)(C)N1CCC[C@@H](C)C1
InChIInChI=1S/C19H35N5O/c1-13-9-8-10-24(11-13)19(5,6)12-20-18(25)21-14(2)17-15(3)22-23(7)16(17)4/h13-14H,8-12H2,1-7H3,(H2,20,21,25)/t13-,14-/m1/s1
InChIKeyFZINZOVRWOVQGQ-ZIAGYGMSSA-N
MW349.52 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 98756215) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID98756215
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)NCC(C)(C)N1CCC[C@@H](C)C1
InChIInChI=1S/C19H35N5O/c1-13-9-8-10-24(11-13)19(5,6)12-20-18(25)21-14(2)17-15(3)22-23(7)16(17)4/h13-14H,8-12H2,1-7H3,(H2,20,21,25)/t13-,14-/m1/s1
InChIKeyFZINZOVRWOVQGQ-ZIAGYGMSSA-N
XLogP2.91
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 53499020
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-piperidinedicarboxamide
CID 70749819
N'-({5-[(1-isopropylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)-N,N-dimethylurea
CID 70767206
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72880570
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide
CID 72899714
N~3~-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide
CID 72920322
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
3-(Butan-2-YL)-1-[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]urea
CID 20964098
N-cyclopentyl-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 45107012
3-Cyclopentyl-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
CID 53007930

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 98756215) is 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1[C@@H](C)NC(=O)NCC(C)(C)N1CCC[C@@H](C)C1.
What is the InChIKey of 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is FZINZOVRWOVQGQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H35N5O/c1-13-9-8-10-24(11-13)19(5,6)12-20-18(25)21-14(2)17-15(3)22-23(7)16(17)4/h13-14H,8-12H2,1-7H3,(H2,20,21,25)/t13-,14-/m1/s1.
What are the key properties of 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 349.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 98756215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).