N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C22H34N6O3 — CID 91222749

IUPACN-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCN(C)CCCc1nc2ccc(NC(=O)N3CCC(CCCC(=O)NO)CC3)cc2[nH]1
InChIInChI=1S/C22H34N6O3/c1-27(2)12-4-6-20-24-18-9-8-17(15-19(18)25-20)23-22(30)28-13-10-16(11-14-28)5-3-7-21(29)26-31/h8-9,15-16,31H,3-7,10-14H2,1-2H3,(H,23,30)(H,24,25)(H,26,29)
InChIKeyVRDWEPNSDMSXPU-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.98
Rot. Bonds9

About N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 91222749) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID91222749
Molecular FormulaC22H34N6O3
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC NameN-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCN(C)CCCc1nc2ccc(NC(=O)N3CCC(CCCC(=O)NO)CC3)cc2[nH]1
InChIInChI=1S/C22H34N6O3/c1-27(2)12-4-6-20-24-18-9-8-17(15-19(18)25-20)23-22(30)28-13-10-16(11-14-28)5-3-7-21(29)26-31/h8-9,15-16,31H,3-7,10-14H2,1-2H3,(H,23,30)(H,24,25)(H,26,29)
InChIKeyVRDWEPNSDMSXPU-UHFFFAOYSA-N
XLogP2.98
TPSA113.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11848263
N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91356315
4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide
CID 91320954
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 142691662
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide
CID 86860041
7-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]-N-hydroxyheptanamide
CID 118075273
2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
3-(1-acetylpiperidin-4-yl)-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 99591289
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 91222749) is N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is CN(C)CCCc1nc2ccc(NC(=O)N3CCC(CCCC(=O)NO)CC3)cc2[nH]1.
What is the InChIKey of N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is VRDWEPNSDMSXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-27(2)12-4-6-20-24-18-9-8-17(15-19(18)25-20)23-22(30)28-13-10-16(11-14-28)5-3-7-21(29)26-31/h8-9,15-16,31H,3-7,10-14H2,1-2H3,(H,23,30)(H,24,25)(H,26,29).
What are the key properties of N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 2.98, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 91222749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).