N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride

C19H30Cl2N4O2 — CID 154915036

IUPACN-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCCCC1)Nc1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(14-23-11-2-1-3-12-23)21-16-6-8-17(9-7-16)22-19(25)15-5-4-10-20-13-15;;/h6-9,15,20H,1-5,10-14H2,(H,21,24)(H,22,25);2*1H
InChIKeyARHOSLCJBLBZAZ-UHFFFAOYSA-N
MW417.38 g/mol
LogP2.89
Rot. Bonds5

About N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride

N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 154915036) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID154915036
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC NameN-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCCCC1)Nc1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(14-23-11-2-1-3-12-23)21-16-6-8-17(9-7-16)22-19(25)15-5-4-10-20-13-15;;/h6-9,15,20H,1-5,10-14H2,(H,21,24)(H,22,25);2*1H
InChIKeyARHOSLCJBLBZAZ-UHFFFAOYSA-N
XLogP2.89
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
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CID 81119070
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119871140
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide
CID 119869819
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride (CID 154915036) is N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(CN1CCCCC1)Nc1ccc(NC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is ARHOSLCJBLBZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c24-18(14-23-11-2-1-3-12-23)21-16-6-8-17(9-7-16)22-19(25)15-5-4-10-20-13-15;;/h6-9,15,20H,1-5,10-14H2,(H,21,24)(H,22,25);2*1H.
What are the key properties of N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride?
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154915036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).