N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide

C17H23N5O2 — CID 170858443

IUPACN-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
SMILESO=C(CC1CCNCC1)NCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H23N5O2/c23-15(11-12-5-7-18-8-6-12)19-9-10-20-17(24)16-13-3-1-2-4-14(13)21-22-16/h1-4,12,18H,5-11H2,(H,19,23)(H,20,24)(H,21,22)
InChIKeyPYUAGSCTWYWXKY-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.80
Rot. Bonds6

About N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide

N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide (PubChem CID 170858443) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
PubChem CID170858443
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
SMILESO=C(CC1CCNCC1)NCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H23N5O2/c23-15(11-12-5-7-18-8-6-12)19-9-10-20-17(24)16-13-3-1-2-4-14(13)21-22-16/h1-4,12,18H,5-11H2,(H,19,23)(H,20,24)(H,21,22)
InChIKeyPYUAGSCTWYWXKY-UHFFFAOYSA-N
XLogP0.80
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056
N-[2-(4-methylcyclohexyl)ethyl]-1H-indazole-3-carboxamide
CID 64982746
N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119621235
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120599389
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120642100
N-ethyl-N-piperidin-4-yl-1H-indazole-3-carboxamide
CID 60805904

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide (CID 170858443) is N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide is O=C(CC1CCNCC1)NCCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is PYUAGSCTWYWXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-15(11-12-5-7-18-8-6-12)19-9-10-20-17(24)16-13-3-1-2-4-14(13)21-22-16/h1-4,12,18H,5-11H2,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide?
N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).