cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide

C20H31N3O2 — CID 95326720

IUPACcis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESCOc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C)CC2)c1C
InChIInChI=1S/C20H31N3O2/c1-13-10-17(13)20(24)22(4)16-6-8-23(9-7-16)12-18-15(3)19(25-5)14(2)11-21-18/h11,13,16-17H,6-10,12H2,1-5H3/t13-,17+/m0/s1
InChIKeyQITFSBVSTUMGEY-SUMWQHHRSA-N
MW345.49 g/mol
LogP2.79
Rot. Bonds5

About cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 95326720) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID95326720
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Namecis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESCOc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C)CC2)c1C
InChIInChI=1S/C20H31N3O2/c1-13-10-17(13)20(24)22(4)16-6-8-23(9-7-16)12-18-15(3)19(25-5)14(2)11-21-18/h11,13,16-17H,6-10,12H2,1-5H3/t13-,17+/m0/s1
InChIKeyQITFSBVSTUMGEY-SUMWQHHRSA-N
XLogP2.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide (CID 95326720) is cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide is COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C)CC2)c1C.
What is the InChIKey of cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is QITFSBVSTUMGEY-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13-10-17(13)20(24)22(4)16-6-8-23(9-7-16)12-18-15(3)19(25-5)14(2)11-21-18/h11,13,16-17H,6-10,12H2,1-5H3/t13-,17+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 95326720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).