2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide

C21H25N5O2 — CID 5329640

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
SMILESNCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CC2)CC1
InChIInChI=1S/C21H25N5O2/c22-10-12-6-8-26(9-7-12)11-16(27)23-15-3-1-2-14-17(15)21(28)18-19(13-4-5-13)24-25-20(14)18/h1-3,12-13H,4-11,22H2,(H,23,27)(H,24,25)
InChIKeyVSFMTQXQSZZVEU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide

2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide (PubChem CID 5329640) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
PubChem CID5329640
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
SMILESNCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CC2)CC1
InChIInChI=1S/C21H25N5O2/c22-10-12-6-8-26(9-7-12)11-16(27)23-15-3-1-2-14-17(15)21(28)18-19(13-4-5-13)24-25-20(14)18/h1-3,12-13H,4-11,22H2,(H,23,27)(H,24,25)
InChIKeyVSFMTQXQSZZVEU-UHFFFAOYSA-N
XLogP2.11
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119909750
2-[4-(aminomethyl)piperidin-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide;hydrochloride
CID 119909019
2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 139912377
methyl 1-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742448
N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
CID 70155822
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 11940771
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
CID 22449181
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 8930746
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide (CID 5329640) is 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide is NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CC2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The InChIKey is VSFMTQXQSZZVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-10-12-6-8-26(9-7-12)11-16(27)23-15-3-1-2-14-17(15)21(28)18-19(13-4-5-13)24-25-20(14)18/h1-3,12-13H,4-11,22H2,(H,23,27)(H,24,25).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclopropyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide is sourced from PubChem (CID 5329640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).