1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide

C19H28N4O2 — CID 119872095

IUPAC1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)C3CCCNC3)cc2)C1
InChIInChI=1S/C19H28N4O2/c20-18(24)16-4-2-10-23(13-16)12-14-5-7-17(8-6-14)22-19(25)15-3-1-9-21-11-15/h5-8,15-16,21H,1-4,9-13H2,(H2,20,24)(H,22,25)
InChIKeyODBKQNKTWMYSBT-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.32
Rot. Bonds5

About 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide

1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119872095) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119872095
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)C3CCCNC3)cc2)C1
InChIInChI=1S/C19H28N4O2/c20-18(24)16-4-2-10-23(13-16)12-14-5-7-17(8-6-14)22-19(25)15-3-1-9-21-11-15/h5-8,15-16,21H,1-4,9-13H2,(H2,20,24)(H,22,25)
InChIKeyODBKQNKTWMYSBT-UHFFFAOYSA-N
XLogP1.32
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872151
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510
1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 120645895
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide
CID 119869819
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide (CID 119872095) is 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(NC(=O)C3CCCNC3)cc2)C1.
What is the InChIKey of 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ODBKQNKTWMYSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-18(24)16-4-2-10-23(13-16)12-14-5-7-17(8-6-14)22-19(25)15-3-1-9-21-11-15/h5-8,15-16,21H,1-4,9-13H2,(H2,20,24)(H,22,25).
What are the key properties of 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide?
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119872095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).