1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea

C21H28N4O2 — CID 171644381

IUPAC1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea
SMILESCC(=O)N1CCC[C@@H](N(C)C(=O)NCc2cc3cc(C4CC4)ccc3[nH]2)C1
InChIInChI=1S/C21H28N4O2/c1-14(26)25-9-3-4-19(13-25)24(2)21(27)22-12-18-11-17-10-16(15-5-6-15)7-8-20(17)23-18/h7-8,10-11,15,19,23H,3-6,9,12-13H2,1-2H3,(H,22,27)/t19-/m1/s1
InChIKeyPSKYKDCVOQEDKL-LJQANCHMSA-N
MW368.48 g/mol
LogP3.20
Rot. Bonds4

About 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea

1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea (PubChem CID 171644381) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea
PubChem CID171644381
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea
SMILESCC(=O)N1CCC[C@@H](N(C)C(=O)NCc2cc3cc(C4CC4)ccc3[nH]2)C1
InChIInChI=1S/C21H28N4O2/c1-14(26)25-9-3-4-19(13-25)24(2)21(27)22-12-18-11-17-10-16(15-5-6-15)7-8-20(17)23-18/h7-8,10-11,15,19,23H,3-6,9,12-13H2,1-2H3,(H,22,27)/t19-/m1/s1
InChIKeyPSKYKDCVOQEDKL-LJQANCHMSA-N
XLogP3.20
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea?
The IUPAC name of 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea (CID 171644381) is 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea is CC(=O)N1CCC[C@@H](N(C)C(=O)NCc2cc3cc(C4CC4)ccc3[nH]2)C1.
What is the InChIKey of 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea?
The InChIKey is PSKYKDCVOQEDKL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(26)25-9-3-4-19(13-25)24(2)21(27)22-12-18-11-17-10-16(15-5-6-15)7-8-20(17)23-18/h7-8,10-11,15,19,23H,3-6,9,12-13H2,1-2H3,(H,22,27)/t19-/m1/s1.
What are the key properties of 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea?
1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea has a molecular weight of 368.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 171644381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).