1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea

C18H36N4O — CID 56750693

IUPAC1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
SMILESCC(C)NC(=O)NCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C18H36N4O/c1-13(2)20-16(23)19-11-14-7-8-22(12-14)15-9-17(3,4)21-18(5,6)10-15/h13-15,21H,7-12H2,1-6H3,(H2,19,20,23)
InChIKeyNBTVUHAZQMQCHD-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.33
Rot. Bonds4

About 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea

1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea (PubChem CID 56750693) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
PubChem CID56750693
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
SMILESCC(C)NC(=O)NCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C18H36N4O/c1-13(2)20-16(23)19-11-14-7-8-22(12-14)15-9-17(3,4)21-18(5,6)10-15/h13-15,21H,7-12H2,1-6H3,(H2,19,20,23)
InChIKeyNBTVUHAZQMQCHD-UHFFFAOYSA-N
XLogP2.33
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1,3-Bis(2,2,6,6-tetramethyl-4-piperidyl)urea
CID 118165
1-Cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 707316
N-propyl-N'-(2,2,6,6-tetramethyl-4-piperidinyl)urea
CID 2277117
4-[1-(Tert-butylcarbamoyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910237
N-Methyl-4-{1-[(propan-2-YL)carbamoyl]pyrrolidin-3-YL}piperidine-1-carboxamide
CID 91921393
N-(tert-butyl)-4-tetrahydro-1H-pyrrol-3-yltetrahydro-1(2H)-pyridinecarboxamide
CID 110197846
2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 84584162
1-(Cyclooctylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 99812812
(4S)-4-pyrrolidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)azepane-1-carboxamide
CID 171359090
(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 118303120
1-Methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 16645810
1,3-Dimethyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 20482954

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea (CID 56750693) is 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea is CC(C)NC(=O)NCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1.
What is the InChIKey of 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is NBTVUHAZQMQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-13(2)20-16(23)19-11-14-7-8-22(12-14)15-9-17(3,4)21-18(5,6)10-15/h13-15,21H,7-12H2,1-6H3,(H2,19,20,23).
What are the key properties of 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea?
1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 324.51 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 56750693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).