N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C19H31N5O — CID 45186446

IUPACN-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cnc(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)[nH]1
InChIInChI=1S/C19H31N5O/c1-14-11-20-18(21-14)13-23-9-6-17(7-10-23)24-8-2-3-15(12-24)19(25)22-16-4-5-16/h11,15-17H,2-10,12-13H2,1H3,(H,20,21)(H,22,25)
InChIKeyNRMGAFLRCDGOKZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.67
Rot. Bonds5

About N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 45186446) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID45186446
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1cnc(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)[nH]1
InChIInChI=1S/C19H31N5O/c1-14-11-20-18(21-14)13-23-9-6-17(7-10-23)24-8-2-3-15(12-24)19(25)22-16-4-5-16/h11,15-17H,2-10,12-13H2,1H3,(H,20,21)(H,22,25)
InChIKeyNRMGAFLRCDGOKZ-UHFFFAOYSA-N
XLogP1.67
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 45186446) is N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is Cc1cnc(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)[nH]1.
What is the InChIKey of N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is NRMGAFLRCDGOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14-11-20-18(21-14)13-23-9-6-17(7-10-23)24-8-2-3-15(12-24)19(25)22-16-4-5-16/h11,15-17H,2-10,12-13H2,1H3,(H,20,21)(H,22,25).
What are the key properties of N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45186446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).