N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C19H30N4O3 — CID 11849011

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C19H30N4O3/c1-22(2)17-8-6-16(7-9-17)14-20-19(25)23-12-10-15(11-13-23)4-3-5-18(24)21-26/h6-9,15,26H,3-5,10-14H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyQDIGFRBWEYJQCL-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.35
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 11849011) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID11849011
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C19H30N4O3/c1-22(2)17-8-6-16(7-9-17)14-20-19(25)23-12-10-15(11-13-23)4-3-5-18(24)21-26/h6-9,15,26H,3-5,10-14H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyQDIGFRBWEYJQCL-UHFFFAOYSA-N
XLogP2.35
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
4-[[[4-[3-(diethylamino)propyl]piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020849
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
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
2-(1-benzoylpiperidin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 46295005
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024
N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998743
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide
CID 161004170

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 11849011) is N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is CN(C)c1ccc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is QDIGFRBWEYJQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-22(2)17-8-6-16(7-9-17)14-20-19(25)23-12-10-15(11-13-23)4-3-5-18(24)21-26/h6-9,15,26H,3-5,10-14H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 11849011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).