1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea

C13H23N3O2 — CID 95285970

IUPAC1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-9-5-3-4-8-16(9)12(17)10(2)14-13(18)15-11-6-7-11/h9-11H,3-8H2,1-2H3,(H2,14,15,18)/t9-,10-/m1/s1
InChIKeyKSKRQYQRWDIUJX-NXEZZACHSA-N
MW253.35 g/mol
LogP1.24
Rot. Bonds3

About 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea

1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 95285970) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID95285970
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-9-5-3-4-8-16(9)12(17)10(2)14-13(18)15-11-6-7-11/h9-11H,3-8H2,1-2H3,(H2,14,15,18)/t9-,10-/m1/s1
InChIKeyKSKRQYQRWDIUJX-NXEZZACHSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea with MolForge

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Related Compounds

1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
CID 95339356
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(3-methylsulfonylpropyl)urea
CID 95292527
2-(methylamino)-N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 123953640
1-[[4-(methoxymethyl)phenyl]methyl]-3-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95382868
(2S)-2-[[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]carbamoylamino]-2-phenylacetamide
CID 95338642
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 95330368
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-cyclohexyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347766

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea (CID 95285970) is 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea is C[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is KSKRQYQRWDIUJX-NXEZZACHSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-5-3-4-8-16(9)12(17)10(2)14-13(18)15-11-6-7-11/h9-11H,3-8H2,1-2H3,(H2,14,15,18)/t9-,10-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea?
1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 253.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 95285970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).