N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

C16H24N6O — CID 71915621

IUPACN,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccnc1CNC(=O)N1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C16H24N6O/c1-20-8-5-17-14(20)10-13-4-3-7-22(12-13)16(23)19-11-15-18-6-9-21(15)2/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,19,23)
InChIKeyMFWIVWHDZWNEQQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.32
Rot. Bonds4

About N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 71915621) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID71915621
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccnc1CNC(=O)N1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C16H24N6O/c1-20-8-5-17-14(20)10-13-4-3-7-22(12-13)16(23)19-11-15-18-6-9-21(15)2/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,19,23)
InChIKeyMFWIVWHDZWNEQQ-UHFFFAOYSA-N
XLogP1.32
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 71915621) is N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is Cn1ccnc1CNC(=O)N1CCCC(Cc2nccn2C)C1.
What is the InChIKey of N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is MFWIVWHDZWNEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-20-8-5-17-14(20)10-13-4-3-7-22(12-13)16(23)19-11-15-18-6-9-21(15)2/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,19,23).
What are the key properties of N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71915621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).