N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide

C19H28N4O2 — CID 111695348

IUPACN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)CC(O)CN3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C19H28N4O2/c1-14-4-5-15-11-18(20-17(15)10-14)19(25)22(3)12-16(24)13-23-8-6-21(2)7-9-23/h4-5,10-11,16,20,24H,6-9,12-13H2,1-3H3
InChIKeyURPUKRWZGLOKSC-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.16
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 111695348) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide
PubChem CID111695348
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)CC(O)CN3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C19H28N4O2/c1-14-4-5-15-11-18(20-17(15)10-14)19(25)22(3)12-16(24)13-23-8-6-21(2)7-9-23/h4-5,10-11,16,20,24H,6-9,12-13H2,1-3H3
InChIKeyURPUKRWZGLOKSC-UHFFFAOYSA-N
XLogP1.16
TPSA62.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide (CID 111695348) is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)N(C)CC(O)CN3CCN(C)CC3)[nH]c2c1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is URPUKRWZGLOKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-4-5-15-11-18(20-17(15)10-14)19(25)22(3)12-16(24)13-23-8-6-21(2)7-9-23/h4-5,10-11,16,20,24H,6-9,12-13H2,1-3H3.
What are the key properties of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide?
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 111695348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).