2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide

C20H22N4O — CID 11952264

IUPAC2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C20H22N4O/c21-20(25)15-8-9-17(23-14-7-4-10-22-12-14)16-11-18(24-19(15)16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,22-24H,4,7,10,12H2,(H2,21,25)/t14-/m0/s1
InChIKeyAQEDGKFVSWOMSY-AWEZNQCLSA-N
MW334.42 g/mol
LogP3.10
Rot. Bonds4

About 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide

2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide (PubChem CID 11952264) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide
PubChem CID11952264
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C20H22N4O/c21-20(25)15-8-9-17(23-14-7-4-10-22-12-14)16-11-18(24-19(15)16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,22-24H,4,7,10,12H2,(H2,21,25)/t14-/m0/s1
InChIKeyAQEDGKFVSWOMSY-AWEZNQCLSA-N
XLogP3.10
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide?
The IUPAC name of 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide (CID 11952264) is 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide.
What is the SMILES notation for 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide?
The canonical SMILES for 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide is NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)[nH]c12.
What is the InChIKey of 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide?
The InChIKey is AQEDGKFVSWOMSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O/c21-20(25)15-8-9-17(23-14-7-4-10-22-12-14)16-11-18(24-19(15)16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,22-24H,4,7,10,12H2,(H2,21,25)/t14-/m0/s1.
What are the key properties of 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide?
2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide is sourced from PubChem (CID 11952264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).