cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide

C19H30N4O — CID 95318242

IUPACcis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H30N4O/c1-12(2)18-20-14(4)11-17(21-18)23-8-6-15(7-9-23)22(5)19(24)16-10-13(16)3/h11-13,15-16H,6-10H2,1-5H3/t13-,16+/m0/s1
InChIKeyKIFDQYCNGSUZGH-XJKSGUPXSA-N
MW330.48 g/mol
LogP2.99
Rot. Bonds4

About cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 95318242) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID95318242
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Namecis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H30N4O/c1-12(2)18-20-14(4)11-17(21-18)23-8-6-15(7-9-23)22(5)19(24)16-10-13(16)3/h11-13,15-16H,6-10H2,1-5H3/t13-,16+/m0/s1
InChIKeyKIFDQYCNGSUZGH-XJKSGUPXSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.99
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,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide (CID 95318242) is cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide is Cc1cc(N2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C)CC2)nc(C(C)C)n1.
What is the InChIKey of cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is KIFDQYCNGSUZGH-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H30N4O/c1-12(2)18-20-14(4)11-17(21-18)23-8-6-15(7-9-23)22(5)19(24)16-10-13(16)3/h11-13,15-16H,6-10H2,1-5H3/t13-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide?
cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95318242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).