N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

C20H23N5O — CID 53145455

IUPACN-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CCc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C20H23N5O/c26-20(23-17-5-2-1-3-6-17)25-13-11-24(12-14-25)10-8-16-15-22-19-18(16)7-4-9-21-19/h1-7,9,15H,8,10-14H2,(H,21,22)(H,23,26)
InChIKeyIXKAJLGVMHUTHL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.96
Rot. Bonds4

About N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 53145455) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID53145455
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(CCc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C20H23N5O/c26-20(23-17-5-2-1-3-6-17)25-13-11-24(12-14-25)10-8-16-15-22-19-18(16)7-4-9-21-19/h1-7,9,15H,8,10-14H2,(H,21,22)(H,23,26)
InChIKeyIXKAJLGVMHUTHL-UHFFFAOYSA-N
XLogP2.96
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108556
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230
4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide
CID 166389608
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397485
1-[1-[dideuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,3-dihydroindol-4-yl]-3-phenylurea
CID 56928779

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (CID 53145455) is N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(CCc2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is IXKAJLGVMHUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(23-17-5-2-1-3-6-17)25-13-11-24(12-14-25)10-8-16-15-22-19-18(16)7-4-9-21-19/h1-7,9,15H,8,10-14H2,(H,21,22)(H,23,26).
What are the key properties of N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 53145455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).