(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide

C23H37N7O — CID 162370379

IUPAC(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCC(CCNC(=O)N2[C@H](C)CN(c3ncc(C#N)cn3)C[C@@H]2C)CC1
InChIInChI=1S/C23H37N7O/c1-17(2)14-28-9-6-20(7-10-28)5-8-25-23(31)30-18(3)15-29(16-19(30)4)22-26-12-21(11-24)13-27-22/h12-13,17-20H,5-10,14-16H2,1-4H3,(H,25,31)/t18-,19+
InChIKeyYGQJVJKAFZUSAS-KDURUIRLSA-N
MW427.60 g/mol
LogP2.71
Rot. Bonds6

About (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide

(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide (PubChem CID 162370379) has the molecular formula C23H37N7O and a molecular weight of 427.60 g/mol. Its IUPAC name is (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
PubChem CID162370379
Molecular FormulaC23H37N7O
Molecular Weight427.60 g/mol
Exact Mass427.31
IUPAC Name(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCC(CCNC(=O)N2[C@H](C)CN(c3ncc(C#N)cn3)C[C@@H]2C)CC1
InChIInChI=1S/C23H37N7O/c1-17(2)14-28-9-6-20(7-10-28)5-8-25-23(31)30-18(3)15-29(16-19(30)4)22-26-12-21(11-24)13-27-22/h12-13,17-20H,5-10,14-16H2,1-4H3,(H,25,31)/t18-,19+
InChIKeyYGQJVJKAFZUSAS-KDURUIRLSA-N
XLogP2.71
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US11033539, Cpd. No. 6-39
CID 162370264
US11033539, Cpd. No. 21-1
CID 129124839
US11033539, Cpd. No. 21-8
CID 162146805
US11033539, Cpd. No. 6-58
CID 162370282
US11033539, Cpd. No. 21-5
CID 162370378
US11033539, Cpd. No. 21-7
CID 162370380
US11033539, Cpd. No. 21-9
CID 162370381
US11033539, Cpd. No. 21-10
CID 162370382
US11033539, Cpd. No. 21-11
CID 162370383
US11033539, Cpd. No. 21-12
CID 162370384
US11033539, Cpd. No. 21-13
CID 162370385
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 53146179

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide (CID 162370379) is (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide is CC(C)CN1CCC(CCNC(=O)N2[C@H](C)CN(c3ncc(C#N)cn3)C[C@@H]2C)CC1.
What is the InChIKey of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is YGQJVJKAFZUSAS-KDURUIRLSA-N. The full InChI is InChI=1S/C23H37N7O/c1-17(2)14-28-9-6-20(7-10-28)5-8-25-23(31)30-18(3)15-29(16-19(30)4)22-26-12-21(11-24)13-27-22/h12-13,17-20H,5-10,14-16H2,1-4H3,(H,25,31)/t18-,19+.
What are the key properties of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
(2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 427.60 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-cyanopyrimidin-2-yl)-2,6-dimethyl-N-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 162370379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).