(2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide

C26H41N7O — CID 129124839

IUPAC(2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C26H41N7O/c1-20-17-32(25-29-15-24(14-27)16-30-25)18-21(2)33(20)26(34)28-11-8-22-9-12-31(13-10-22)19-23-6-4-3-5-7-23/h15-16,20-23H,3-13,17-19H2,1-2H3,(H,28,34)/t20-,21+
InChIKeyREXNCQCZFLVCTB-OYRHEFFESA-N
MW467.66 g/mol
LogP3.64
Rot. Bonds6

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

(2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide (PubChem CID 129124839) has the molecular formula C26H41N7O and a molecular weight of 467.66 g/mol. Its IUPAC name is (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide
PubChem CID129124839
Molecular FormulaC26H41N7O
Molecular Weight467.66 g/mol
Exact Mass467.34
IUPAC Name(2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C26H41N7O/c1-20-17-32(25-29-15-24(14-27)16-30-25)18-21(2)33(20)26(34)28-11-8-22-9-12-31(13-10-22)19-23-6-4-3-5-7-23/h15-16,20-23H,3-13,17-19H2,1-2H3,(H,28,34)/t20-,21+
InChIKeyREXNCQCZFLVCTB-OYRHEFFESA-N
XLogP3.64
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11033539, Cpd. No. 6-39
CID 162370264
US11033539, Cpd. No. 21-8
CID 162146805
US11033539, Cpd. No. 6-58
CID 162370282
US11033539, Cpd. No. 21-5
CID 162370378
US11033539, Cpd. No. 21-6
CID 162370379
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-propan-2-yl-3-[[(2R,4S,5S)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 40779823

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide?
The IUPAC name of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide (CID 129124839) is (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide?
The canonical SMILES for (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide is C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NCCC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide?
The InChIKey is REXNCQCZFLVCTB-OYRHEFFESA-N. The full InChI is InChI=1S/C26H41N7O/c1-20-17-32(25-29-15-24(14-27)16-30-25)18-21(2)33(20)26(34)28-11-8-22-9-12-31(13-10-22)19-23-6-4-3-5-7-23/h15-16,20-23H,3-13,17-19H2,1-2H3,(H,28,34)/t20-,21+.
What are the key properties of (2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide?
(2R,6S)-4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide has a molecular weight of 467.66 g/mol, XLogP of 3.64, 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)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 129124839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).